Metabolite Reference Standards and Reagents: Compounds Approved for Synthesis

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StructureCommon
Name
InChiKey

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