Metabolite Reference Standards and Reagents: Compounds Approved for Synthesis

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StructureCommon
Name
InChiKey

Isotopic Label
Type
Isotopic Label
Position
MSSC

Status

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10-Formyl-tetrahydrofolic acid AUFGTPPARQZWDO-YUZLPWPTSA-N RTIcompleted
11-keto-1,6,7-trideuterotestosterone WTPMRQZHJLJSBO-FLDABYKKSA-N RTIcompleted
11β-Hydroxyandrostenedione WSCUHXPGYUMQEX-KCZNZURUSA-Nunlabelled parent * RTIcompleted *
11β-Hydroxyandrostenedione-d3  2Hcarbons 1,6,7 RTIcompleted 
[13C2]-monoethyl fumerate XLYMOEINVGRTEX-JUAXEOANSA-N13CThe 1 and 4 position of fumarate SRIcompleted
13CD3-QA Iodide CSRAQSNOQWXULC-HBKQTYJLSA-M13C + 2Hboth on one mehyl group SRIcompleted
[15N2,13C]-5-Carboxycytosine BLQMCTXZEMGOJM-QIOHBQFSSA-N15N, 13C SRIcompleted
[15N2,13C]-5-Formylcytosine FHSISDGOVSHJRW-QIOHBQFSSA-N15N, 13C SRIcompleted
15N-Cholamine Bromide VSZWLDAGOXQHNB-NWZHYJCUSA-M15NPlease see Anal Chem. 2013 Sep 17;85(18):8715-21. SRIcompleted
15NQDA CSRAQSNOQWXULC-XOJMRSMASA-M15N2-15Naminooxyethyl SRIcompleted
18-Hydroxy-1,18,18-trideuterocorticosterone WTPMRQZHJLJSBO-BYUZBNOLSA-N RTIsynthesis in process  
18-hydroxy-1,18,18-trideuterocortisol HESFZGWRDUVOMS-YTTWDCMTSA-N RTIsynthesis in process   
18-hydroxy-1,6,7-trideuterocortisol HESFZGWRDUVOMS-AZFBHEKGSA-N2H RTIsynthesis in process   
18-Hydroxycorticosterone HFSXHZZDNDGLQN-ZVIOFETBSA-Nunlabelled parent * RTIsynthesis in process *  
18-Hydroxycortisol HESFZGWRDUVOMS-UKSDXMLSSA-Nunlabelled parent * RTIsynthesis in process *  
18-oxo-tetrahydrocortisol ONUUOQCMEFWOSB-ASTGPZOCSA-NNANA RTIsynthesis in process  
1-Monoethyl malate FHHFKGGCXNOIAY-PTQBSOBMSA-N13C1 position of malate SRIsynthesis in process  
2-hydroxyglutaric acid HWXBTNAVRSUOJR-UHFFFAOYSA-N13Cuniform enrichment SRIcompleted
2-keto-3-deoxygluconate WPAMZTWLKIDIOP-WVZVXSGGSA-N SRIcompleted
3-Deoxyarabino-hexonic acid YGMNHEPVTNXLLS-VAYJURFESA-NNANA SRIcompleted
5-carboxy-2'-dCytosine FHPQEVWDHUHVGT-RRKCRQDMSA-N13Call carbons on the cytosine RTIsynthesis in process  
5-carboxylcytosine BLQMCTXZEMGOJM-UHFFFAOYSA-N SRIcompleted
5-Formimino-tetrahydrofolic acid YCWUVLPMLLBDCU-OLZOCXBDSA-N RTIsynthesis in process   
5-formyl-2'-deoxycytosine QBADNGFALQJSIH-XLPZGREQSA-N13CAll of the cytosine ring RTIsynthesis in process  
5-formylcytosine FHSISDGOVSHJRW-UHFFFAOYSA-N SRIcompleted
6-phosphogluconic acid BIRSGZKFKXLSJQ-SQOUGZDYSA-N13Cuniform enrichment SRIcompleted
6-phosphogluconolactone IJOJIVNDFQSGAB-SQOUGZDYSA-N13Cuniform enrichment SRIcompleted
(6R)-5,10-methylenetetrahydrofolate QYNUQALWYRSVHF-OLZOCXBDSA-N13C RTIsynthesis in process   
(6R,S)-5,10-Methenyl-5,6,7,8-tetrahydrofolic acid, chloride NDMWNIVQVBEIJX-ZEDZUCNESA-N RTIcompleted 
(6R,S)-5,10-Methylene-5,6,7,8-tetrahydrofolic acid, calcium salt AKUPTUNGFOADRT-ZEDZUCNESA-Lunlabelled parent * RTIcompleted *
AICA Ribonucleotide XOGIBYSEXZJKHY-UIPKGFOGSA-Nunlabelled parent * RTIcompleted *
Carbamoyl phosphate FFQKYPRQEYGKAF-UHFFFAOYSA-Nunlabelled parent * RTIsynthesis in process *  
Carbamoyl phosphate FFQKYPRQEYGKAF-UHFFFAOYSA-N13C RTIsynthesis in process  
Cholamine Bromide VSZWLDAGOXQHNB-UHFFFAOYSA-Munlabelled parent * SRIcompleted *
D-Erythrose 4-phosphate NGHMDNPXVRFFGS-IUYQGCFVSA-N13Cuniform enrichment SRIsynthesis in process  
Dihydroorotic acid UFIVEPVSAGBUSI-UHFFFAOYSA-Nunlabelled parent * RTIsynthesis in process *  
Dimethyl α-ketoglutarate TXIXSLPEABAEHP-UHFFFAOYSA-Nunlabelled parent * RTIcompleted *
Dimethyl α-ketoglutarate TXIXSLPEABAEHP-UHFFFAOYSA-N13C1,2,3,4,5-13C5 RTIcompleted
D-Ribose 5-phosphate KTVPXOYAKDPRHY-SOOFDHNKSA-N13Cuniform enrichment SRIcompleted
D-Ribulose 5-phosphate FNZLKVNUWIIPSJ-UHNVWZDZSA-N13Cuniform enrichment SRIcompleted
D-Sedoheptulose-7-phosphate CBIDVWSRUUODHL-QTSLKERKSA-N13Ceither C1+C2 or C3 to C7 SRIcompleted
D-Xylulose 5-phosphate FNZLKVNUWIIPSJ-RFZPGFLSSA-N13Cuniform enrichment SRIsynthesis in process  
fructose 2,6 bisphosphate  U-13CU-13C SRIsynthesis in process  
fructose 2,6 bisphosphate YXWOAJXNVLXPMU-ZXXMMSQZSA-N SRIsynthesis in process *  
Fructose-6-phosphate BGWGXPAPYGQALX-ARQDHWQXSA-N13Cuniform enrichment SRIcompleted
glucose-6-phosphate NBSCHQHZLSJFNQ-GASJEMHNSA-N13Cuniform enrichment SRIcompleted
Itaconic acid LVHBHZANLOWSRM-UHFFFAOYSA-N13Cuniform enrichment though any 2 positions also would suffice SRIcompleted
Malioxamycin KXQRAPMNPUXYGT-VDTYLAMSSA-N RTIcompleted
NAD+ BAWFJGJZGIEFAR-NNYOXOHSSA-Ounlabelled parent * RTIsynthesis in process *  
NAD+  uniform enrichment RTIsynthesis in process   
NADH BOPGDPNILDQYTO-NNYOXOHSSA-Nunlabelled parent * RTIsynthesis in process *  
NADH labeled  uniform enrichment RTIsynthesis in process   
NADP+ XJLXINKUBYWONI-NNYOXOHSSA-Ounlabelled parent * RTIsynthesis in process *  
NADPH ACFIXJIJDZMPPO-NNYOXOHSSA-Nunlabelled parent * RTIsynthesis in process *  
NADPH  uniform enrichment RTIsynthesis in process   
NADP+ labeled  uniform enrichment RTIsynthesis in process   
Orotic-4,5,6-carboxy-13C4 Acid Monohydrate PXQPEWDEAKTCGB-UHFFFAOYSA-N13C RTIcompleted
QDA Iodide CSRAQSNOQWXULC-UHFFFAOYSA-Munlabelled parent * SRIcompleted
rel-[13C]Tetrahydroxyphenanthrene NXXFPJMAQQHDHQ-OANWKOAXSA-N13C6ring-13C6 SRIsynthesis in process  
rel-Tetrahydroxyphenanthrene  unlabelled parent * SRIsynthesis in process *  
U13C-(–)-4,5-Dihydroorotic acid UFIVEPVSAGBUSI-UHFFFAOYSA-N13C RTIcompleted
U13C-AICA Ribonucleotide NOTGFIUVDGNKRI-UUOKFMHZSA-N13C RTIcompleted

Number of records: 62

* 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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