Metabolite Reference Standards and Reagents: All Compounds

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StructureCNID
Common
Name
InChiKey

Isotopic Label
Type
Isotopic Label
Position
MSSC

Status

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4010-Formyl-tetrahydrofolic acid AUFGTPPARQZWDO-YUZLPWPTSA-N RTIcompleted
17811-keto-1,6,7-trideuterotestosterone WTPMRQZHJLJSBO-FLDABYKKSA-N RTIcompleted
18111β-Hydroxyandrostenedione WSCUHXPGYUMQEX-KCZNZURUSA-Nunlabelled parent * RTIcompleted *
18011β-Hydroxyandrostenedione-d3  2Hcarbons 1,6,7 RTIcompleted 
4411β-hydroxyandrostenedione (d-4) WSCUHXPGYUMQEX-KCZNZURUSA-N2H at carbons 1,2,6,7 RTIcompleted   
219[13C2]-monoethyl fumerate XLYMOEINVGRTEX-JUAXEOANSA-N13CThe 1 and 4 position of fumarate SRIcompleted
21313CD3-QA Iodide CSRAQSNOQWXULC-HBKQTYJLSA-M13C + 2Hboth on one mehyl group SRIcompleted
225[15N2,13C]-5-Carboxycytosine BLQMCTXZEMGOJM-QIOHBQFSSA-N15N, 13C SRIcompleted
226[15N2,13C]-5-Formylcytosine FHSISDGOVSHJRW-QIOHBQFSSA-N15N, 13C SRIcompleted
8315N-Cholamine Bromide VSZWLDAGOXQHNB-NWZHYJCUSA-M15NPlease see Anal Chem. 2013 Sep 17;85(18):8715-21. SRIcompleted
21415NQDA CSRAQSNOQWXULC-XOJMRSMASA-M15N2-15Naminooxyethyl SRIcompleted
17918-Hydroxy-1,18,18-trideuterocorticosterone WTPMRQZHJLJSBO-BYUZBNOLSA-N RTIsynthesis in process  
17718-hydroxy-1,18,18-trideuterocortisol HESFZGWRDUVOMS-YTTWDCMTSA-N RTIsynthesis in process   
17618-hydroxy-1,6,7-trideuterocortisol HESFZGWRDUVOMS-AZFBHEKGSA-N2H RTIsynthesis in process   
18718-Hydroxycorticosterone HFSXHZZDNDGLQN-ZVIOFETBSA-Nunlabelled parent * RTIsynthesis in process *  
18618-Hydroxycortisol HESFZGWRDUVOMS-UKSDXMLSSA-Nunlabelled parent * RTIsynthesis in process *  
4518-oxo-tetrahydrocortisol ONUUOQCMEFWOSB-ASTGPZOCSA-NNANA RTIsynthesis in process  
4318β-hydroxycortisol HESFZGWRDUVOMS-FJNAKSJRSA-Neither -d3 or 13C3 or greaterany non-exhangeable position RTIsynthesis in process   
2171-Monoethyl malate FHHFKGGCXNOIAY-PTQBSOBMSA-N13C1 position of malate SRIsynthesis in process  
772-hydroxyglutaric acid HWXBTNAVRSUOJR-UHFFFAOYSA-N13Cuniform enrichment SRIcompleted
72-keto-3-deoxygluconate WPAMZTWLKIDIOP-WVZVXSGGSA-N SRIcompleted
2212-Oxo-20-trihydroxy-leukotriene B4 QVZXILIWUPKGPA-CYHXRQOESA-N  nominated  
83-Deoxyarabino-hexonic acid YGMNHEPVTNXLLS-VAYJURFESA-NNANA SRIcompleted
2225-carboxy-2'-dCytosine FHPQEVWDHUHVGT-RRKCRQDMSA-N13Call carbons on the cytosine RTIsynthesis in process  
2155-carboxylcytosine BLQMCTXZEMGOJM-UHFFFAOYSA-N SRIcompleted
1735-Formimino-tetrahydrofolic acid YCWUVLPMLLBDCU-OLZOCXBDSA-N RTIsynthesis in process   
2235-formyl-2'-deoxycytosine QBADNGFALQJSIH-XLPZGREQSA-N13CAll of the cytosine ring RTIsynthesis in process  
2165-formylcytosine FHSISDGOVSHJRW-UHFFFAOYSA-N SRIcompleted
556-phosphogluconic acid BIRSGZKFKXLSJQ-SQOUGZDYSA-N13Cuniform enrichment SRIcompleted
546-phosphogluconolactone IJOJIVNDFQSGAB-SQOUGZDYSA-N13Cuniform enrichment SRIcompleted
74(6R)-5,10-methylenetetrahydrofolate QYNUQALWYRSVHF-OLZOCXBDSA-N13C RTIsynthesis in process   
175(6R,S)-5,10-Methenyl-5,6,7,8-tetrahydrofolic acid, chloride NDMWNIVQVBEIJX-ZEDZUCNESA-N RTIcompleted 
174(6R,S)-5,10-Methylene-5,6,7,8-tetrahydrofolic acid, calcium salt AKUPTUNGFOADRT-ZEDZUCNESA-Lunlabelled parent * RTIcompleted *
218Acetaminophen RZVAJINKPMORJF-UHFFFAOYSA-NUniformly 13C labeled acetaminophenAll carbon (eight carbon)  declined  
197AICA Ribonucleotide XOGIBYSEXZJKHY-UIPKGFOGSA-Nunlabelled parent * RTIcompleted *
70Carbamoyl-13C, 15N phosphate, dilithium salt FFQKYPRQEYGKAF-UHFFFAOYSA-N13C, 15Nuniform enrichment RTIcompleted
231CDP-choline  2Hperdeuteration of choline (D13)  nominated  
202Cholamine Bromide VSZWLDAGOXQHNB-UHFFFAOYSA-Munlabelled parent * SRIcompleted *
9Creatine Riboside BGJFEKXALPJEGN-XVFCMESISA-N SRIdropped  
61D-Erythrose 4-phosphate NGHMDNPXVRFFGS-IUYQGCFVSA-N13Cuniform enrichment SRIsynthesis in process  
15D-glucose (Uniformly deuterated. 13C labeled at the C3 and C4 positions) WQZGKKKJIJFFOK-GASJEMHNSA-N2H, 13C[U-D, 3,4-13C]glucose NAdeclined  
196Dihydroorotic acid UFIVEPVSAGBUSI-UHFFFAOYSA-Nunlabelled parent * RTIsynthesis in process *  
183Dimethyl α-ketoglutarate TXIXSLPEABAEHP-UHFFFAOYSA-Nunlabelled parent * RTIcompleted *
26Dimethyl α-ketoglutarate TXIXSLPEABAEHP-UHFFFAOYSA-N13C1,2,3,4,5-13C5 RTIcompleted
58D-Ribose 5-phosphate KTVPXOYAKDPRHY-SOOFDHNKSA-N13Cuniform enrichment SRIcompleted
57D-Ribulose 5-phosphate FNZLKVNUWIIPSJ-UHNVWZDZSA-N13Cuniform enrichment SRIcompleted
60D-Sedoheptulose-7-phosphate CBIDVWSRUUODHL-QTSLKERKSA-N13Ceither C1+C2 or C3 to C7 SRIcompleted
59D-Xylulose 5-phosphate FNZLKVNUWIIPSJ-RFZPGFLSSA-N13Cuniform enrichment SRIsynthesis in process  
96fructose 2,6 bisphosphate YXWOAJXNVLXPMU-ZXXMMSQZSA-N SRIsynthesis in process *  
95fructose 2,6 bisphosphate  U-13CU-13C SRIsynthesis in process  
53Fructose-6-phosphate BGWGXPAPYGQALX-ARQDHWQXSA-N13Cuniform enrichment SRIcompleted
11Fumaric acid (2,3-13C and 2,3-2H labeled) VZCYOOQTPOCHFL-OWOJBTEDSA-N13C, 2H2,3 NAdeclined  
229GDP Mannose  13Call 6 position in the mannose subunit  nominated  
52glucose-6-phosphate NBSCHQHZLSJFNQ-GASJEMHNSA-N13Cuniform enrichment SRIcompleted
90Glucosyl (β) sphingosine (d17:1) DQIGRQVQNXMBJY-XAYNVVOESA-N NAdeclined  
76Itaconic acid LVHBHZANLOWSRM-UHFFFAOYSA-N13Cuniform enrichment though any 2 positions also would suffice SRIcompleted
6Malioxamycin KXQRAPMNPUXYGT-VDTYLAMSSA-N RTIcompleted
220Metabolon Lactone X12063 IJIWKJRHDDIJKI-HGEVZRBZSA-N  nominated  
205NAD+  uniform enrichment RTIsynthesis in process   
198NAD+ BAWFJGJZGIEFAR-NNYOXOHSSA-Ounlabelled parent * RTIsynthesis in process *  
81NADH BOPGDPNILDQYTO-NNYOXOHSSA-N2H,13C, or 15N or combinations thereofAny 5-should be more than 4 total RTIsynthesis in process   
199NADH BOPGDPNILDQYTO-NNYOXOHSSA-Nunlabelled parent * RTIsynthesis in process *  
203NADH labeled  uniform enrichment RTIsynthesis in process   
82NAD+ labeled BAWFJGJZGIEFAR-NNYOXOHSSA-O2H,13C, or 15N or combinations thereofAny 5-should be more than 4 total RTIsynthesis in process   
200NADP+ XJLXINKUBYWONI-NNYOXOHSSA-Ounlabelled parent * RTIsynthesis in process *  
201NADPH  uniform enrichment RTIsynthesis in process   
85NADPH ACFIXJIJDZMPPO-NNYOXOHSSA-N2H,13C,15N at least 5, in any combinationany 5 atoms or more RTIsynthesis in process   
206NADPH ACFIXJIJDZMPPO-NNYOXOHSSA-Nunlabelled parent * RTIsynthesis in process *  
204NADP+ labeled  uniform enrichment RTIsynthesis in process   
84NADP-stable isotope label XJLXINKUBYWONI-NNYOXOHSSA-O1H,13C,15N or any combination thereofand that are stable to back-exchange RTIsynthesis in process   
72Orotic-4,5,6-carboxy-13C4 Acid Monohydrate PXQPEWDEAKTCGB-UHFFFAOYSA-N13C RTIcompleted
212QDA Iodide CSRAQSNOQWXULC-UHFFFAOYSA-Munlabelled parent * SRIcompleted
5rel-[13C]Tetrahydroxyphenanthrene NXXFPJMAQQHDHQ-OANWKOAXSA-N13C6ring-13C6 SRIsynthesis in process  
182rel-Tetrahydroxyphenanthrene  unlabelled parent * SRIsynthesis in process *  
27Resolvin E1 AOPOCGPBAIARAV-OTBJXLELSA-Nn/an/a NAdeclined  
211symmetric dimethylarginine HVPFXCBJHIIJGS-LURJTMIESA-N13CAll carbons  nominated  
210Symmetric Dimethylarginine HVPFXCBJHIIJGS-LURJTMIESA-N  nominated  
71U13C-(–)-4,5-Dihydroorotic acid UFIVEPVSAGBUSI-UHFFFAOYSA-N13C RTIcompleted
73U13C-AICA Ribonucleotide NOTGFIUVDGNKRI-UUOKFMHZSA-N13C RTIcompleted
228UDP-galactose  13Call 6 C in hexose  nominated  
227UDP-glucose  13Cglucose subunit, all 6 positions  nominated  
230UDP-NAcglucosamine  1313C6 hexose  nominated  

Number of records: 82

* This non-target unlabelled compound was analyzed by chromatographic and spectral methods as appropriate but was not certified by GLP protocols.
 One of more compounds were approved for synthesis based on this nomination. Click the common name for details.
 This compound was approved for synthesis based on the nomination of a different compound, or a nomination that was not specific.

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