Metabolite Reference Standards and Reagents: Compounds Approved for Synthesis
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Structure | Common Name | InChiKey | Isotopic Label Type | Isotopic Label Position | Pathway Cassette | MSSC | Status | Request this compound |
---|---|---|---|---|---|---|---|---|
fructose 2,6 bisphosphate | YXWOAJXNVLXPMU-ZXXMMSQZSA-N | Glycolysis | SRI | synthesis in process * | ||||
3-Deoxyarabino-hexonic acid | YGMNHEPVTNXLLS-VAYJURFESA-N | NA | NA | Miscellaneous/drugs | SRI | completed | ||
5-Formimino-tetrahydrofolic acid | YCWUVLPMLLBDCU-OLZOCXBDSA-N | Folates/1C metabolism | RTI | completed ‡ | ||||
AICA Ribonucleotide | XOGIBYSEXZJKHY-UIPKGFOGSA-N | unlabelled parent * | Nucleotide pathways: purine biosynthesis | RTI | completed * | |||
mono-ethylfumarate (carbon-13 labeled at the 1 and 4 positions of fumarate) | XLYMOEINVGRTEX-JUAXEOANSA-N | 13C | The 1 and 4 position of fumarate | Krebs cycle | SRI | synthesis in process | ||
NADP+ | XJLXINKUBYWONI-NNYOXOHSSA-O | unlabelled parent * | Redox/coenzymes | RTI | synthesis in process * | |||
11-keto-1,6,7-trideuterotestosterone | WTPMRQZHJLJSBO-FLDABYKKSA-N | Steroids/bioactive lipids | RTI | completed | ||||
18-Hydroxy-1,18,18-trideuterocorticosterone | WTPMRQZHJLJSBO-BYUZBNOLSA-N | Steroids/bioactive lipids | RTI | synthesis in process | ||||
11β-Hydroxyandrostenedione | WSCUHXPGYUMQEX-KCZNZURUSA-N | unlabelled parent * | Steroids/bioactive lipids | RTI | completed * | |||
2-keto-3-deoxygluconate | WPAMZTWLKIDIOP-WVZVXSGGSA-N | Miscellaneous/drugs | SRI | completed | ||||
Cholamine Bromide | VSZWLDAGOXQHNB-UHFFFAOYSA-M | unlabelled parent * | Reagents | SRI | completed * | |||
15N-Cholamine Bromide | VSZWLDAGOXQHNB-NWZHYJCUSA-M | 15N | Please see Anal Chem. 2013 Sep 17;85(18):8715-21. | Reagents | SRI | completed | ||
Dihydroorotic acid | UFIVEPVSAGBUSI-UHFFFAOYSA-N | unlabelled parent * | Nucleotide pathways: pyrimidine biosynthesis | RTI | synthesis in process * | |||
(S)-4,5-Dihydroorotic-4,5,6,carboxy-13C4 acid | UFIVEPVSAGBUSI-UHFFFAOYSA-N | 13C | Nucleotide pathways: pyrimidine biosynthesis | RTI | completed | |||
Dimethyl α-ketoglutarate | TXIXSLPEABAEHP-UHFFFAOYSA-N | 13C | 1,2,3,4,5-13C5 | Krebs cycle | RTI | completed | ||
Dimethyl α-ketoglutarate | TXIXSLPEABAEHP-UHFFFAOYSA-N | unlabelled parent * | Krebs cycle | RTI | completed * | |||
alpha-ketoisocaproate-13C6 | t | t | t | branched-chain amino acid oxidation | completed | |||
alpha-keto-beta-methylvalerate-13C6 | t | t | t | branched-chain amino acid oxidation | completed | |||
CDP-choline | RZZPDXZPRHQOCG-OJAKKHQRSA-N | 2H | perdeuteration of choline (D13) | synthesis in process | ||||
(6R)-5,10-methylenetetrahydrofolate | QYNUQALWYRSVHF-OLZOCXBDSA-N | 13C | Folates/1C metabolism | RTI | synthesis in process ‡ | |||
5-formyl-2’-deoxy-Cytidine | QBADNGFALQJSIH-XLPZGREQSA-N | 13C | All of the cytosine ring | Epigenetics | synthesis in process | |||
Orotic-4,5,6-carboxy-13C4 Acid Monohydrate | PXQPEWDEAKTCGB-UHFFFAOYSA-N | 13C | Nucleotide pathways: pyrimidine biosynthesis | RTI | completed | |||
18-oxo-tetrahydrocortisol | ONUUOQCMEFWOSB-ASTGPZOCSA-N | NA | NA | Steroids/bioactive lipids | RTI | synthesis in process | ||
rel-[13C]Tetrahydroxyphenanthrene | NXXFPJMAQQHDHQ-OANWKOAXSA-N | 13C6 | ring-13C6 | Miscellaneous/drugs | SRI | synthesis in process | ||
U13C-AICA Ribonucleotide | NOTGFIUVDGNKRI-UUOKFMHZSA-N | 13C | Nucleotide pathways: purine biosynthesis | RTI | completed | |||
D-Erythrose 4-phosphate | NGHMDNPXVRFFGS-IUYQGCFVSA-N | 13C | uniform enrichment | Pentose phosphate: non-oxidative branch | SRI | synthesis in process | ||
(6R,S)-5,10-Methenyl-5,6,7,8-tetrahydrofolic acid, chloride | NDMWNIVQVBEIJX-ZEDZUCNESA-N | Folates/1C metabolism | RTI | completed ‡ | ||||
glucose-6-phosphate | NBSCHQHZLSJFNQ-GASJEMHNSA-N | 13C | uniform enrichment | Glycolysis | SRI | completed | ||
Itaconic acid | LVHBHZANLOWSRM-UHFFFAOYSA-N | 13C | uniform enrichment though any 2 positions also would suffice | Krebs cycle | SRI | completed | ||
Malioxamycin | KXQRAPMNPUXYGT-VDTYLAMSSA-N | Miscellaneous/drugs | RTI | completed | ||||
D-Ribose 5-phosphate | KTVPXOYAKDPRHY-SOOFDHNKSA-N | 13C | uniform enrichment | Pentose phosphate: non-oxidative branch | SRI | completed | ||
6-phosphogluconolactone | IJOJIVNDFQSGAB-SQOUGZDYSA-N | 13C | uniform enrichment | Pentose phosphate: oxidative branch | SRI | completed | ||
2-hydroxyglutaric acid | HWXBTNAVRSUOJR-UHFFFAOYSA-N | 13C | uniform enrichment | Krebs cycle | SRI | completed | ||
18-Hydroxycorticosterone | HFSXHZZDNDGLQN-ZVIOFETBSA-N | unlabelled parent * | Steroids/bioactive lipids | RTI | synthesis in process * | |||
18-hydroxy-1,18,18-trideuterocortisol | HESFZGWRDUVOMS-YTTWDCMTSA-N | Steroids/bioactive lipids | RTI | synthesis in process ‡ | ||||
18-Hydroxycortisol | HESFZGWRDUVOMS-UKSDXMLSSA-N | unlabelled parent * | Steroids/bioactive lipids | RTI | synthesis in process * | |||
18-hydroxy-1,6,7-trideuterocortisol | HESFZGWRDUVOMS-AZFBHEKGSA-N | 2H | Steroids/bioactive lipids | RTI | synthesis in process ‡ | |||
D-Ribulose 5-phosphate | FNZLKVNUWIIPSJ-UHNVWZDZSA-N | 13C | uniform enrichment | Pentose phosphate: oxidative branch | SRI | completed | ||
D-Xylulose 5-phosphate | FNZLKVNUWIIPSJ-RFZPGFLSSA-N | 13C | uniform enrichment | Pentose phosphate: non-oxidative branch | SRI | synthesis in process | ||
5-formylcytosine | FHSISDGOVSHJRW-UHFFFAOYSA-N | Epigenetics | SRI | completed | ||||
[15N2,13C]-5-Formylcytosine | FHSISDGOVSHJRW-QIOHBQFSSA-N | 15N, 13C | SRI | completed | ||||
5-carboxy-2’-deoxy-Cytidine | FHPQEVWDHUHVGT-RRKCRQDMSA-N | 13C | all carbons on the cytosine | Epigenetics | synthesis in process | |||
1-Monoethyl malate | FHHFKGGCXNOIAY-PTQBSOBMSA-N | 13C | 1 position of malate | Krebs cycle | SRI | completed | ||
Carbamoyl phosphate | FFQKYPRQEYGKAF-UHFFFAOYSA-N | unlabelled parent * | Nucleotide pathways: pyrimidine biosynthesis | RTI | synthesis in process * | |||
Carbamoyl phosphate | FFQKYPRQEYGKAF-UHFFFAOYSA-N | 13C, 15N | Nucleotide pathways: pyrimidine biosynthesis | RTI | completed | |||
15NQDA | CSRAQSNOQWXULC-XOJMRSMASA-M | 15N | 2-15Naminooxyethyl | Reagents | SRI | completed | ||
QDA Iodide | CSRAQSNOQWXULC-UHFFFAOYSA-M | unlabelled parent * | Reagents | SRI | completed | |||
13CD3-QA Iodide | CSRAQSNOQWXULC-HBKQTYJLSA-M | 13C + 2H | both on one mehyl group | Reagents | SRI | completed | ||
NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | unlabelled parent * | Redox/coenzymes | RTI | synthesis in process * | |||
5-carboxylcytosine | BLQMCTXZEMGOJM-UHFFFAOYSA-N | Epigenetics | SRI | completed | ||||
[15N2,13C]-5-Carboxycytosine | BLQMCTXZEMGOJM-QIOHBQFSSA-N | 15N, 13C | SRI | completed | ||||
6-phosphogluconic acid | BIRSGZKFKXLSJQ-SQOUGZDYSA-N | 13C | uniform enrichment | Pentose phosphate: oxidative branch | SRI | completed | ||
Fructose-6-phosphate | BGWGXPAPYGQALX-ARQDHWQXSA-N | 13C | uniform enrichment | Glycolysis | SRI | completed | ||
NAD+ | BAWFJGJZGIEFAR-NNYOXOHSSA-O | unlabelled parent * | Redox/coenzymes | RTI | synthesis in process * | |||
10-Formyl-tetrahydrofolic acid | AUFGTPPARQZWDO-YUZLPWPTSA-N | Folates/1C metabolism | RTI | completed | ||||
(6R,S)-5,10-Methylene-5,6,7,8-tetrahydrofolic acid, calcium salt | AKUPTUNGFOADRT-ZEDZUCNESA-L | unlabelled parent * | Folates/1C metabolism | RTI | completed * | |||
NADPH | ACFIXJIJDZMPPO-NNYOXOHSSA-N | unlabelled parent * | Redox/coenzymes | RTI | synthesis in process * | |||
NADP+ labeled | uniform enrichment | Redox/coenzymes | RTI | synthesis in process ‡ | ||||
rel-Tetrahydroxyphenanthrene | unlabelled parent * | Miscellaneous/drugs | SRI | synthesis in process * | ||||
5-Hydroxymethyl-2''-deoxycytidine-4,5,hydroxymethyl-13C3 | 13C3 | synthesis in process ‡ | ||||||
11β-Hydroxyandrostenedione-d3 | 2H | carbons 1,6,7 | Steroids/bioactive lipids | RTI | completed ‡ | |||
NADH labeled | uniform enrichment | Redox/coenzymes | RTI | synthesis in process ‡ | ||||
NAD+ | uniform enrichment | Redox/coenzymes | RTI | synthesis in process ‡ | ||||
fructose 2,6 bisphosphate | U-13C | U-13C | Glycolysis | SRI | synthesis in process | |||
NADPH | uniform enrichment | Redox/coenzymes | RTI | synthesis in process ‡ |
Number of records: 65
* 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.
See all compounds, including all nominations