Metabolite Reference Standards and Reagents: Compounds Approved for Synthesis

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StructureCommon
Name
InChiKey

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