#METABOLOMICS WORKBENCH Tomoya_Tsukimi_20170309_001205 DATATRACK_ID:861 STUDY_ID:ST000570 ANALYSIS_ID:AN000877 PROJECT_ID:PR000418
VERSION             	1
CREATED_ON             	March 13, 2017, 11:57 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolome analysis of the cecal contents of GF mice and GF mice colonized with
PR:PROJECT_TITLE                 	dominant gut microbes present in the ceca of neonatal and adult mice
PR:PROJECT_SUMMARY               	The high susceptibility of neonates to infections has been assumed to be due to
PR:PROJECT_SUMMARY               	immaturity of the immune system, but the mechanism remains unclear. By
PR:PROJECT_SUMMARY               	colonizing adult germ-free mice with the cecal contents of neonatal and adult
PR:PROJECT_SUMMARY               	mice, we show that the neonatal microbiota is impaired in mediating colonization
PR:PROJECT_SUMMARY               	resistance against two major pathogens causing mortality in neonates. The lack
PR:PROJECT_SUMMARY               	of colonization resistance was caused by the absence of Clostridiales in the
PR:PROJECT_SUMMARY               	neonatal microbiota. Administration of Clostridiales, but not Bacteroidales,
PR:PROJECT_SUMMARY               	restored colonization resistance and abrogated intestinal pathology upon
PR:PROJECT_SUMMARY               	pathogen challenge. Conversely, depletion of Clostridiales abolished
PR:PROJECT_SUMMARY               	colonization resistance in adult mice. Furthermore, intragastric administration
PR:PROJECT_SUMMARY               	of Clostridiales protected neonatal mice from pathogen infection. The neonatal
PR:PROJECT_SUMMARY               	bacteria enhanced the ability of these protective Clostridiales to colonize the
PR:PROJECT_SUMMARY               	gut. These results identify the gut microbiota as a critical determinant of
PR:PROJECT_SUMMARY               	increased susceptibility to enteric infection during the neonatal period.
PR:INSTITUTE                     	Keio University
PR:DEPARTMENT                    	Institute for Advanced Biosciences
PR:LAST_NAME                     	Fukuda
PR:FIRST_NAME                    	Shinji
PR:ADDRESS                       	Tsuruoka, Yamagata 997-0052, Japan
PR:EMAIL                         	sfukuda@sfc.keio.ac.jp
PR:PHONE                         	+81-235-29-0528
#STUDY
ST:STUDY_TITLE                   	Metabolome analysis of the cecal contents of GF mice and GF mice colonized with
ST:STUDY_TITLE                   	dominant gut microbes present in the ceca of neonatal and adult mice
ST:STUDY_SUMMARY                 	Metabolome profiles of GF or GF mice reconstituted with Esherichia coli (EC),
ST:STUDY_SUMMARY                 	Bacteroides acidifaciens (Bac), or Clostridia consortium (CL) were compared.
ST:INSTITUTE                     	Keio University
ST:DEPARTMENT                    	Institute for Advanced Biosciences
ST:LAST_NAME                     	Fukuda
ST:FIRST_NAME                    	Shinji
ST:ADDRESS                       	Tsuruoka, Yamagata 997-0052, Japan
ST:EMAIL                         	sfukuda@sfc.keio.ac.jp
ST:PHONE                         	+81-235-29-0528
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	17
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1_B1	colonized bacteria:Bacteroides acidifaciens	
SUBJECT_SAMPLE_FACTORS           	-	1_B2	colonized bacteria:Bacteroides acidifaciens	
SUBJECT_SAMPLE_FACTORS           	-	1_B3	colonized bacteria:Bacteroides acidifaciens	
SUBJECT_SAMPLE_FACTORS           	-	1_B4	colonized bacteria:Bacteroides acidifaciens	
SUBJECT_SAMPLE_FACTORS           	-	1_B5	colonized bacteria:Bacteroides acidifaciens	
SUBJECT_SAMPLE_FACTORS           	-	1_CL1	colonized bacteria:Clostridia	
SUBJECT_SAMPLE_FACTORS           	-	1_CL2	colonized bacteria:Clostridia	
SUBJECT_SAMPLE_FACTORS           	-	1_CL3	colonized bacteria:Clostridia	
SUBJECT_SAMPLE_FACTORS           	-	1_CL4	colonized bacteria:Clostridia	
SUBJECT_SAMPLE_FACTORS           	-	1_CL5	colonized bacteria:Clostridia	
SUBJECT_SAMPLE_FACTORS           	-	2_EB1	colonized bacteria:Esherichia coli	
SUBJECT_SAMPLE_FACTORS           	-	2_EB2	colonized bacteria:Esherichia coli	
SUBJECT_SAMPLE_FACTORS           	-	2_EB3	colonized bacteria:Esherichia coli	
SUBJECT_SAMPLE_FACTORS           	-	5_C1	colonized bacteria:none (GF)	
SUBJECT_SAMPLE_FACTORS           	-	5_C2	colonized bacteria:none (GF)	
SUBJECT_SAMPLE_FACTORS           	-	5_C3	colonized bacteria:none (GF)	
SUBJECT_SAMPLE_FACTORS           	-	5_C4	colonized bacteria:none (GF)	
#COLLECTION
CO:COLLECTION_SUMMARY            	Feces of GF or GF mice reconstituted with Esherichia coli (EC), Bacteroides
CO:COLLECTION_SUMMARY            	acidifaciens (Bac), or Clostridia consortium (CL)
CO:SAMPLE_TYPE                   	Feces
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Animals Specific-pathogen-free (SPF) C57BL/6 mice were originally purchased from
TR:TREATMENT_SUMMARY             	Jackson Laboratories. Wild-type mice on GF background were bred and maintained
TR:TREATMENT_SUMMARY             	at the Germ-free Animal Core Facility of the University of Michigan. GF mice
TR:TREATMENT_SUMMARY             	were maintained in flexible film isolators and were checked weekly for germ-free
TR:TREATMENT_SUMMARY             	status by aerobic and anaerobic culture. The absence of microbiota was verified
TR:TREATMENT_SUMMARY             	by microscopic analysis of stained cecal contents to detect unculturable
TR:TREATMENT_SUMMARY             	contamination. All animal studies were performed according to approved protocols
TR:TREATMENT_SUMMARY             	by the University of Michigan Committee on the Use and Care of Animals.
TR:TREATMENT_SUMMARY             	Reconstitution of GF mice with cecal contents and defined bacteria Cecal
TR:TREATMENT_SUMMARY             	contents from single neonatal and 7-week old SPF mice were diluted into 50 ml
TR:TREATMENT_SUMMARY             	(per one adult mouse) or 5 ml (per one 4, 12, 16-day old mouse) of PBS, and
TR:TREATMENT_SUMMARY             	passed through a 70 μm cell strainer to eliminate clumps and debris under
TR:TREATMENT_SUMMARY             	sterile conditions) under an atmosphere of 5% H2, 5% CO2 and 90% N2 in an
TR:TREATMENT_SUMMARY             	anaerobic growth chamber (Coy Manufacturing, Grass Lake, MI). Then 200 μl of
TR:TREATMENT_SUMMARY             	the suspension was processed by intragastric gavage into each of the recipient
TR:TREATMENT_SUMMARY             	GF mice. Bacteroides species were anaerobically grown at 37°C overnight in
TR:TREATMENT_SUMMARY             	pre-reduced chopped-meat broth (Anaerobe systems, Morgan Hill, CA). E. coli were
TR:TREATMENT_SUMMARY             	grown aerobically overnight in LB broth with shaking.
TR:TREATMENT_PROTOCOL_FILENAME   	Treatment_Protocol.pdf
TR:TREATMENT                     	Biotic
TR:TREATMENT_COMPOUND            	Suspension of diluted cecal contents
TR:TREATMENT_ROUTE               	Intragastric gavage
TR:TREATMENT_DOSE                	200 μl
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	CE-TOFMS-based metabolome analysis(sample preparation) Fecal samples were freeze
SP:SAMPLEPREP_SUMMARY            	dried, and disrupted by vigorous shaking at 1,500 rpm for 10 min with four 3 mm
SP:SAMPLEPREP_SUMMARY            	zirconia beads by Shake Master NEO (Bio Medical Science Inc.). 10 mg (±0.5 mg)
SP:SAMPLEPREP_SUMMARY            	fecal samples were homogenized with 500 μl MeOH containing internal standards
SP:SAMPLEPREP_SUMMARY            	(20 μM each of methionine sulfone, and D-camphor-10-sulfonic acid (CSA)) and
SP:SAMPLEPREP_SUMMARY            	100 mg of 0.1 mm and four of 3 mm zirconia/silica beads (BioSpec Products).
SP:SAMPLEPREP_SUMMARY            	After vigorous shaking (1,500 rpm for 5 min) by Shake Master NEO (Bio Medical
SP:SAMPLEPREP_SUMMARY            	Science Inc.), 200 μl of Milli-Q water and 500 μl of chloroform was added and
SP:SAMPLEPREP_SUMMARY            	then shaking in a same manner as before. After centrifugation at 4,600 × g for
SP:SAMPLEPREP_SUMMARY            	15 min at 4°C, the supernatant was transferred to a 5kDa cutoff centrifugal
SP:SAMPLEPREP_SUMMARY            	filter tube. The filtrate was centrifugally concentrated at 40°C and
SP:SAMPLEPREP_SUMMARY            	reconstituted with 40 μl of Milli-Q water.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Sample_Prep_Protocol.pdf
SP:PROCESSING_METHOD             	Homogenized with 500 μl MeOH containing internal standards and 100 mg of 0.1 mm
SP:PROCESSING_METHOD             	and four of 3 mm zirconia/silica beads
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACTION_METHOD             	Chloroform
SP:EXTRACT_CLEANUP               	5kDa cutoff centrifugal filter tube
SP:SAMPLE_RESUSPENSION           	40 μl of Milli-Q water
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	CE
CH:INSTRUMENT_NAME               	Agilent CE
CH:COLUMN_NAME                   	COSMO(+), i.d.50 µm(anion), Fused-silica, i.d. 50 µm(cation)
CH:INTERNAL_STANDARD             	20 μM each of methionine sulfone, and D-camphor-10-sulfonic acid (CSA)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent CE-TOFMS
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	nmol/g
MS_METABOLITE_DATA_START
Samples	1_B1	1_B2	1_B3	1_B4	1_B5	1_CL1	1_CL2	1_CL3	1_CL4	1_CL5	2_EB1	2_EB2	2_EB3	5_C1	5_C2	5_C3	5_C4
Factors	colonized bacteria:Bacteroides acidifaciens	colonized bacteria:Bacteroides acidifaciens	colonized bacteria:Bacteroides acidifaciens	colonized bacteria:Bacteroides acidifaciens	colonized bacteria:Bacteroides acidifaciens	colonized bacteria:Clostridia	colonized bacteria:Clostridia	colonized bacteria:Clostridia	colonized bacteria:Clostridia	colonized bacteria:Clostridia	colonized bacteria:Esherichia coli	colonized bacteria:Esherichia coli	colonized bacteria:Esherichia coli	colonized bacteria:none (GF)	colonized bacteria:none (GF)	colonized bacteria:none (GF)	colonized bacteria:none (GF)
Acetyl CoA	4	6	7	7	7	151	213	22	83	45							
Adipate	24	95	12	32	31	18	21	41	49	19	14	10	29	122	103	49	71
ADP	6	4	11	5	7	52	88	14	21	13	4	5					
AMP						185	151	88	106								
Azelate	16	17	13	13	11	191	155	191	313	118	12	15	19	10	10	22	21
Butanoate						4915	2072	1255	2717	2132							
Carbamoylaspartate	8	11	6	6	6		26	12			5		11		13		3
Cholate		94	62	93	206	94	257	107	92	135							
cis-Aconitate	108	537	12	425	310	31	62	186	201	9	89	17	194	879	1191	426	350
Citraconate	5	20	3	12	7	7	5	14	21	5	7	5	14	21	24	16	20
Citramalate	36	35	12	35	31	27	31	129	45	56	11	9	13	41	31	23	25
Citrate	1486	4053	385	2615	3586	980	403	1176	1219	262	805	434	1544	2393	16312	2578	1673
CMP	4	4	7	4	3	34	43	29	32	12	3	2	4				
Cysteate	19	21	28	27	21	205	313	53	200	135	7	11	11	13	16	14	22
Cysteine S-sulfate	32	31	17	22	18	3		21	7	10	211	189	291	209	285	237	712
Dihydroorotate	6																
Dodecanedioate						6	12	25		10							
dTMP						24	25	15	18	12							
F6P	5	9	12	9		222	82	21	148	56							
Fumarate	299	107	159	165	140	18		10	192	9	150	101	147	13	26	27	16
G1P						169	47	16	48	22							
G6P	15	34	51	53	27	902	350	90	713	238	4	5	4				
Gluconate	1703	1814	1953	2223	1813			133					75	1296	2897	1211	1777
Glucosamine 6-phosphate						15											
Glucuronate		92						153	167					886	1216	911	830
Glutarate	74	484	18	100	109	91	160	189	193	130	79	41	192	331	337	188	468
Glycerate	228	155	200	270	263	336	389	626	271	314	142	139	109	167	200	129	230
Glycerophosphate	55	61	26	36	29	386	310	145	305	109	17	31	115	91	38	18	12
Glycolate		763		896		3256	3211	1267	17952	1224				662	1355	852	707
Hippurate		72		32	10			31	38					61	118	56	35
Homovanillate						3699	2546	1168	2922	2861							
IMP						25											
Isethionate	75	259	21	224	140	94	99	233	181	110	44	45	83	903	774	352	259
Isobutyryl CoA						96	42	5	74	37							
Isocitrate	64	98	13	141	105	28	56	167	40	9	37	26	96	389	628	184	127
Itaconate	7	8	6	9	6	13	9	5	9	7				3	5	4	3
Lactate	1916	1822	2286	1600	1961	23912	9245	12217	75807	14113	1154	1763	1770	7435	13270	17598	13299
Malate	1563	863	993	1121	877	499	81	110	302	68	312	311	322	106	695	175	130
Malonate	141	116	70	106	90	376	401	548	320	322	101	96	183	130	160	94	157
Methanesulfonate						41		59	128						55		
Methyl sulfate	25	29	18	21	19	16	14	13	23	15	14	15	17	26	33	15	20
Mucate	45	60	62	72	51	11	4	19	6		11	14	19	87	130	70	85
N-Acetylaspartate	31	55	15	38	34	1215	874	85	721	521	12	6	15	30	102	30	24
N-Acetyl-beta-alanine	142	134	138	175	134	32	28	49	35	31	248	296	309	153	237	136	240
N-Acetylglucosamine 1-phosphate	3	4	5	6		178	170	112	190	119							
N-Acetylglucosamine 6-phosphate	8	12	15	14	10	79	67	70	66	5							
N-Acetylglutamate	19	59	18	45	34	420	340	125	331	198	31	30	42	31	111	36	25
NAD+						947	963		450								
NADP+						32	39										
N-Carbamylglutamate						13			40								
N-Formylaspartate															79		
Nicotinate						403	436	347	383	238	39	26	44				
o-Hydroxyhippurate														16			
O-Phosphoserine		10		13	7	43	56	11	31								
Orotate	56	53	40	58	52	44	98	44	36	24	39	29	49	69	78	38	39
Pentanoate	6			17	8	49		52	25	9	6	9	7		10	13	10
Phenylpyruvate		49												207	314	47	91
Phthalate	6	4	4	5	5	13	11	12	18	9	4	5	5	4	5	5	7
p-Hydroxybenzoate						41											
p-Hydroxyphenylacetate						72	147	108	141	136							
Pimelate	7	35	5	21	16	17	21	29	37	12	3	2	7	26	55	24	23
Propionate				313	232	237		141			94		212				
Pyruvate	58	106		147		265			293				235	229	979	283	198
Quinate	596	602	821	812	736	1049	1119	653	889	725				617	1117	695	858
Ru5P						84	76	7	114	75							
S7P	8	12	17	16	11	158	103	25	149	54							
Saccharate	84	89	103	118	75									189	319	169	180
Sebacate	1	1	2	1	1	20	23	20	17	12	1	1	2	1	1	1	2
Shikimate	443	500	605	672	546		194							462	765	480	570
Succinate	9876	6803	7728	7497	6008	1333	1186	1060	2015	745	1461	1220	2257	349	1706	484	319
Taurocholate	146	315	168	212	276	142	250	395	308	350	556	1024	2891	87	646	834	4091
Terephthalate	4	4	7	7	4	4	4	4	4	5	5	4	24	2	3	4	4
Threonate	336	688	373	580	408	209	264	387	275	194	179	230	289	626	684	358	392
trans-4-Hydroxy-3-methoxycinnamate	78	58	68	59	46	18	22	97			75	89	82	30	54	31	46
trans-Aconitate	8	96		53	13	19	11	19	76	20	5		8	149	163	92	50
UDP	3	4	6	6	4	29	38	6	13	5							
UDP-glucuronate						12											
UDP-N-acetylglucosamine						38	52										
UMP	6	7	12	12	8	109	105	42	60	15							
Urate	137	200	138	197	156	65	100	162	243	22	16	19	39	504	520	212	185
XMP						18	15	4	12								
2,3-Pyridinedicarboxylate	11	17	9	12	11	6	11	12	6	10	9	10	9	16	25	11	16
2,5-Dihydroxybenzoate	17	32	11	24	19		377	268									
2-Deoxyglucose 6-phosphate						24	20	5	31	16							
2-Hydroxybutyrate	5	5			6	34	16	22	64	20	9	12	14	9	42	14	12
2-Hydroxyglutarate	161	189	112	132	207	442	564	455	476	264	17	22	39		164	54	58
2-Hydroxyisobutyrate	3	9			3	4	6	7						13	17	8	7
2-Hydroxypentanoate	37	58	31	56	45	47	45	69	30	48	30	25	33	26	68	33	44
2-Hydroxyphenylacetate		10												19	13	8	13
2-Isopropylmalate	4	5	2	4	3	2	2	4	5	2				7	5	6	4
2-Oxoadipate	14	59		35	27						21			199	1369	68	178
2-Oxoglutarate	412	1726		927	1553	717	242		1007	56	188	145	221	733	7967	444	500
2-Oxoisopentanoate	6	25		8		19	14	21	35	19	7	5	27	102	249	45	60
3-(2-Hydroxyphenyl)propionate	387	510	554	561	501	29	72	48	42	80	405	490	415	149	285	159	222
3-(4-Hydroxyphenyl)propionate						226	141	225	269	173							
3-Hydroxy-3-methylglutarate	125	199	50	99	122	9	5	22	36	4	12	5	25	165	124	38	71
3-Hydroxybutyrate	27	45	25	39	39	40	46	38	30	29	17	18	27	43	93	32	48
3-Hydroxypropionate										125							
3-Indoxyl sulfate		58		40	11			146	71		59	44	268				
3-Methylbutanoate	8	17	22	31	25	36	20	120	28	32	8	7	16	19	31	15	35
3PG	8	4	9	11	6	133	223	40	92	26							
3-Phenyllactate	325	484	592	573	526	45	142	82	81	88	232	409	433	228	351	238	277
3-Phenylpropionate	1613	1780	1926	2016	1538		143	87		163	1639	2330	1791	2074	3920	1965	2831
3-Ureidopropionate	38	306		154	93	64	127	331	245	76	34		108	566	822	331	233
4-Acetylbutyrate	11	7	9	11	9	13	12	23	9	11	9	11	12	8	14	13	11
4-Hydroxymandelate														50	65	46	
4-Methyl-2-oxopentanoate		102				101	74	171	191	99	58	38	138	575	1337	319	351
4-Methylthio-2-oxobutyrate																	110
4-Oxopentanoate	26	20	19	22	26	42	35	74	55	40	14	18	22	16	25	29	26
5-Oxoproline	184	367	218	325	269	195	66	90	176	60	87	104	138	290	347	173	196
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID	RefMet name
Acetyl CoA				C00024	Acetyl-CoA
Adipate				C06104	Adipic acid
ADP				C00008	ADP
AMP				C00020	AMP
Azelate				C08261
Butanoate				C00246	Butyric acid
Carbamoylaspartate				C00438
Cholate				C00695	Cholic acid
cis-Aconitate				C00417	Cis-Aconitic acid
Citraconate				C02226	Citraconic acid
Citramalate				C02614	Citramalic acid
Citrate				C00158	Citric acid
CMP				C00055	CMP
Cysteate				C00506	Cysteic acid
Cysteine S-sulfate				C05824	Cysteine-S-sulfate
Dihydroorotate				C00337	4,5-Dihydroorotic acid
Dodecanedioate				C02678	Dodecanedioic acid
dTMP				C00364	dTMP
F6P				C00085	Fructose-6-phosphate
Fumarate				C00122	Fumaric acid
G1P				C00103	Glucose-1-phosphate
G6P				C00092	Glucose-6-phosphate
Gluconate				C00257	Gluconic acid
Glucosamine 6-phosphate				C00352	Glucosamine-6-phosphate
Glucuronate				C00191	Glucuronic acid
Glutarate				C00489	Glutaric acid
Glycerate				C00258	Glyceric acid
Glycerophosphate				C00093
Glycolate				C00160	Glycolic acid
Hippurate				C01586	Hippuric acid
Homovanillate				C05582	Homovanillic acid
IMP				C00130	IMP
Isethionate				C05123	2-Hydroxyethanesulfonate
Isobutyryl CoA				C00630	Isobutyryl-CoA
Isocitrate				C00311	Isocitric acid
Itaconate				C00490	Itaconic acid
Lactate				C00186	Lactic acid
Malate				C00711	Malic acid
Malonate				C00383	Malonic acid
Methanesulfonate				C11145
Methyl sulfate				C02704	Methyl sulfate
Mucate				C00879
N-Acetylaspartate				C01042	N-Acetylaspartic acid
N-Acetyl-beta-alanine				C01073	N-acetyl-beta-alanine
N-Acetylglucosamine 1-phosphate				C04501	N-acetyl-D-glucosamine-1-phosphate
N-Acetylglucosamine 6-phosphate				C00357	N-Acetyl-Glucosamine 6-Phosphate
N-Acetylglutamate				C00624	N-acetylglutamic acid
NAD+				C00003	NAD+
NADP+				C00006	NADP+
N-Carbamylglutamate				C05829	Carglumic acid
N-Formylaspartate				C01044
Nicotinate				C00253	Nicotinic acid
o-Hydroxyhippurate				C07588
O-Phosphoserine				C01005	Phosphoserine
Orotate				C00295	Orotic acid
Pentanoate				C00803	Valeric acid
Phenylpyruvate				C00166	Phenylpyruvic acid
Phthalate				C01606	Phthalic acid
p-Hydroxybenzoate				C00156	4-Hydroxybenzoic acid
p-Hydroxyphenylacetate				C00642	P-Hydroxyphenylacetic acid
Pimelate				C02656	Pimelic acid
Propionate				C00163	Propionic acid
Pyruvate				C00022	Pyruvic acid
Quinate				C00296	Quinic acid
Ru5P				C00199
S7P				C05382	Sedoheptulose 7-phosphate
Saccharate				C00818
Sebacate				C08277	Sebacic acid
Shikimate				C00493	Shikimic acid
Succinate				C00042	Succinic acid
Taurocholate				C05122	Taurocholic acid
Terephthalate				C06337	Terephthalic acid
Threonate				C01620	Threonic acid
trans-4-Hydroxy-3-methoxycinnamate				C01494
trans-Aconitate				C02341	Trans-Aconitic acid
UDP				C00015	UDP
UDP-glucuronate				C00167	UDP-glucuronic acid
UDP-N-acetylglucosamine				C00043	UDP-N-acetylglucosamine
UMP				C00105	UMP
Urate				C00366	Uric acid
XMP				C00655	XMP
2,3-Pyridinedicarboxylate				C03722
2,5-Dihydroxybenzoate				C00628	Gentisic acid
2-Deoxyglucose 6-phosphate				C06369
2-Hydroxybutyrate				C05984	2-hydroxybutyric acid
2-Hydroxyglutarate				C02630	2-hydroxyglutaric acid
2-Hydroxyisobutyrate				-	2-hydroxyisobutyric acid
2-Hydroxypentanoate				-
2-Hydroxyphenylacetate				C05852	2-hydroxyphenylacetic acid
2-Isopropylmalate				C02504	2-isopropylmalic acid
2-Oxoadipate				C00322	Oxoadipic acid
2-Oxoglutarate				C00026	Oxoglutaric acid
2-Oxoisopentanoate				C00141
3-(2-Hydroxyphenyl)propionate				C01198	3-(2-Hydroxyphenyl)propanoic acid
3-(4-Hydroxyphenyl)propionate				C01744
3-Hydroxy-3-methylglutarate				C03761	3-Hydroxymethylglutaric acid
3-Hydroxybutyrate				C01089	beta-hydroxybutyric acid
3-Hydroxypropionate				C01013
3-Indoxyl sulfate				-	Indoxyl sulfate
3-Methylbutanoate				C08262
3PG				C00197	3-Phosphoglyceric acid
3-Phenyllactate				C05607
3-Phenylpropionate				C05629
3-Ureidopropionate				C02642	Ureidopropionic acid
4-Acetylbutyrate				C02129
4-Hydroxymandelate				C11527
4-Methyl-2-oxopentanoate				C00233	Ketoleucine
4-Methylthio-2-oxobutyrate				C01180
4-Oxopentanoate				-
5-Oxoproline				C01879	Pyroglutamic acid
METABOLITES_END
#END