Metabolite Reference Standards and Reagents: Compounds Approved for Synthesis

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StructureCommon
Name
InChiKey

Isotopic Label
Type
Isotopic Label
Position
Pathway
Cassette
MSSC

Status

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Itaconic acid LVHBHZANLOWSRM-UHFFFAOYSA-N13Cuniform enrichment though any 2 positions also would suffice Krebs cycle SRIcompleted
Fructose-6-phosphate BGWGXPAPYGQALX-ARQDHWQXSA-N13Cuniform enrichment Glycolysis SRIcompleted
6-phosphogluconolactone IJOJIVNDFQSGAB-SQOUGZDYSA-N13Cuniform enrichment Pentose phosphate: oxidative branch SRIcompleted
6-phosphogluconic acid BIRSGZKFKXLSJQ-SQOUGZDYSA-N13Cuniform enrichment Pentose phosphate: oxidative branch SRIcompleted
D-Xylulose 5-phosphate FNZLKVNUWIIPSJ-RFZPGFLSSA-N13Cuniform enrichment Pentose phosphate: non-oxidative branch SRIsynthesis in process  
D-Ribulose 5-phosphate FNZLKVNUWIIPSJ-UHNVWZDZSA-N13Cuniform enrichment Pentose phosphate: oxidative branch SRIcompleted
glucose-6-phosphate NBSCHQHZLSJFNQ-GASJEMHNSA-N13Cuniform enrichment Glycolysis SRIcompleted
D-Ribose 5-phosphate KTVPXOYAKDPRHY-SOOFDHNKSA-N13Cuniform enrichment Pentose phosphate: non-oxidative branch SRIcompleted
2-hydroxyglutaric acid HWXBTNAVRSUOJR-UHFFFAOYSA-N13Cuniform enrichment Krebs cycle SRIcompleted
D-Erythrose 4-phosphate NGHMDNPXVRFFGS-IUYQGCFVSA-N13Cuniform enrichment Pentose phosphate: non-oxidative branch SRIsynthesis in process  
fructose 2,6 bisphosphate  U-13CU-13C Glycolysis SRIsynthesis in process  
mono-ethylfumarate (carbon-13 labeled at the 1 and 4 positions of fumarate) XLYMOEINVGRTEX-JUAXEOANSA-N13CThe 1 and 4 position of fumarate Krebs cycle SRIsynthesis in process  
rel-[13C]Tetrahydroxyphenanthrene NXXFPJMAQQHDHQ-OANWKOAXSA-N13C6ring-13C6 Miscellaneous/drugs SRIsynthesis in process  
15N-Cholamine Bromide VSZWLDAGOXQHNB-NWZHYJCUSA-M15NPlease see Anal Chem. 2013 Sep 17;85(18):8715-21. Reagents SRIcompleted
CDP-choline RZZPDXZPRHQOCG-OJAKKHQRSA-N2Hperdeuteration of choline (D13)    synthesis in process  
18-oxo-tetrahydrocortisol ONUUOQCMEFWOSB-ASTGPZOCSA-NNANA Steroids/bioactive lipids RTIsynthesis in process  
3-Deoxyarabino-hexonic acid YGMNHEPVTNXLLS-VAYJURFESA-NNANA Miscellaneous/drugs SRIcompleted
11β-Hydroxyandrostenedione-d3  2Hcarbons 1,6,7 Steroids/bioactive lipids RTIcompleted 
13CD3-QA Iodide CSRAQSNOQWXULC-HBKQTYJLSA-M13C + 2Hboth on one mehyl group Reagents SRIcompleted
5-formyl-2'-deoxycytosine QBADNGFALQJSIH-XLPZGREQSA-N13CAll of the cytosine ring Epigenetics  synthesis in process  
5-carboxy-2'-dCytosine FHPQEVWDHUHVGT-RRKCRQDMSA-N13Call carbons on the cytosine Epigenetics  synthesis in process  
15NQDA CSRAQSNOQWXULC-XOJMRSMASA-M15N2-15Naminooxyethyl Reagents SRIcompleted
1-Monoethyl malate FHHFKGGCXNOIAY-PTQBSOBMSA-N13C1 position of malate Krebs cycle SRIsynthesis in process  
Dimethyl α-ketoglutarate TXIXSLPEABAEHP-UHFFFAOYSA-N13C1,2,3,4,5-13C5 Krebs cycle RTIcompleted
(S)-4,5-Dihydroorotic-4,5,6,carboxy-13C4 acid UFIVEPVSAGBUSI-UHFFFAOYSA-N13C Nucleotide pathways: pyrimidine biosynthesis RTIcompleted
fructose 2,6 bisphosphate YXWOAJXNVLXPMU-ZXXMMSQZSA-N Glycolysis SRIsynthesis in process *  
AICA Ribonucleotide XOGIBYSEXZJKHY-UIPKGFOGSA-Nunlabelled parent * Nucleotide pathways: purine biosynthesis RTIcompleted *
NADPH ACFIXJIJDZMPPO-NNYOXOHSSA-Nunlabelled parent * Redox/coenzymes RTIsynthesis in process *  
rel-Tetrahydroxyphenanthrene  unlabelled parent * Miscellaneous/drugs SRIsynthesis in process *  
NAD+  uniform enrichment Redox/coenzymes RTIsynthesis in process   
NADPH  uniform enrichment Redox/coenzymes RTIsynthesis in process   
Dihydroorotic acid UFIVEPVSAGBUSI-UHFFFAOYSA-Nunlabelled parent * Nucleotide pathways: pyrimidine biosynthesis RTIsynthesis in process *  
Cholamine Bromide VSZWLDAGOXQHNB-UHFFFAOYSA-Munlabelled parent * Reagents SRIcompleted *
NADH labeled  uniform enrichment Redox/coenzymes RTIsynthesis in process   
QDA Iodide CSRAQSNOQWXULC-UHFFFAOYSA-Munlabelled parent * Reagents SRIcompleted
11-keto-1,6,7-trideuterotestosterone WTPMRQZHJLJSBO-FLDABYKKSA-N Steroids/bioactive lipids RTIcompleted
NADP+ labeled  uniform enrichment Redox/coenzymes RTIsynthesis in process   
10-Formyl-tetrahydrofolic acid AUFGTPPARQZWDO-YUZLPWPTSA-N Folates/1C metabolism RTIcompleted
Carbamoyl phosphate FFQKYPRQEYGKAF-UHFFFAOYSA-N13C Nucleotide pathways: pyrimidine biosynthesis RTIcompleted
5-Hydroxymethyl-2''-deoxycytidine-4,5,hydroxymethyl-13C3  13C3    synthesis in process   
[15N2,13C]-5-Formylcytosine FHSISDGOVSHJRW-QIOHBQFSSA-N15N, 13C   SRIcompleted
5-carboxylcytosine BLQMCTXZEMGOJM-UHFFFAOYSA-N Epigenetics SRIcompleted
5-formylcytosine FHSISDGOVSHJRW-UHFFFAOYSA-N Epigenetics SRIcompleted
Orotic-4,5,6-carboxy-13C4 Acid Monohydrate PXQPEWDEAKTCGB-UHFFFAOYSA-N13C Nucleotide pathways: pyrimidine biosynthesis RTIcompleted
Carbamoyl phosphate FFQKYPRQEYGKAF-UHFFFAOYSA-Nunlabelled parent * Nucleotide pathways: pyrimidine biosynthesis RTIsynthesis in process *  
U13C-AICA Ribonucleotide NOTGFIUVDGNKRI-UUOKFMHZSA-N13C Nucleotide pathways: purine biosynthesis RTIcompleted
18-Hydroxycortisol HESFZGWRDUVOMS-UKSDXMLSSA-Nunlabelled parent * Steroids/bioactive lipids RTIsynthesis in process *  
Malioxamycin KXQRAPMNPUXYGT-VDTYLAMSSA-N Miscellaneous/drugs RTIcompleted
NADH BOPGDPNILDQYTO-NNYOXOHSSA-Nunlabelled parent * Redox/coenzymes RTIsynthesis in process *  
[15N2,13C]-5-Carboxycytosine BLQMCTXZEMGOJM-QIOHBQFSSA-N15N, 13C   SRIcompleted
5-Formimino-tetrahydrofolic acid YCWUVLPMLLBDCU-OLZOCXBDSA-N Folates/1C metabolism RTIcompleted 
(6R,S)-5,10-Methenyl-5,6,7,8-tetrahydrofolic acid, chloride NDMWNIVQVBEIJX-ZEDZUCNESA-N Folates/1C metabolism RTIcompleted 
NAD+ BAWFJGJZGIEFAR-NNYOXOHSSA-Ounlabelled parent * Redox/coenzymes RTIsynthesis in process *  
NADP+ XJLXINKUBYWONI-NNYOXOHSSA-Ounlabelled parent * Redox/coenzymes RTIsynthesis in process *  
2-keto-3-deoxygluconate WPAMZTWLKIDIOP-WVZVXSGGSA-N Miscellaneous/drugs SRIcompleted
Dimethyl α-ketoglutarate TXIXSLPEABAEHP-UHFFFAOYSA-Nunlabelled parent * Krebs cycle RTIcompleted *
(6R,S)-5,10-Methylene-5,6,7,8-tetrahydrofolic acid, calcium salt AKUPTUNGFOADRT-ZEDZUCNESA-Lunlabelled parent * Folates/1C metabolism RTIcompleted *
(6R)-5,10-methylenetetrahydrofolate QYNUQALWYRSVHF-OLZOCXBDSA-N13C Folates/1C metabolism RTIsynthesis in process   
11β-Hydroxyandrostenedione WSCUHXPGYUMQEX-KCZNZURUSA-Nunlabelled parent * Steroids/bioactive lipids RTIcompleted *
18-hydroxy-1,6,7-trideuterocortisol HESFZGWRDUVOMS-AZFBHEKGSA-N2H Steroids/bioactive lipids RTIsynthesis in process   
18-hydroxy-1,18,18-trideuterocortisol HESFZGWRDUVOMS-YTTWDCMTSA-N Steroids/bioactive lipids RTIsynthesis in process   
18-Hydroxycorticosterone HFSXHZZDNDGLQN-ZVIOFETBSA-Nunlabelled parent * Steroids/bioactive lipids RTIsynthesis in process *  
18-Hydroxy-1,18,18-trideuterocorticosterone WTPMRQZHJLJSBO-BYUZBNOLSA-N Steroids/bioactive lipids RTIsynthesis in process  

Number of records: 63

* 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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