Metabolite Reference Standards and Reagents: Compounds Approved for Synthesis

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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	REQUEST
5-Formimino-tetrahydrofolic acid	YCWUVLPMLLBDCU-OLZOCXBDSA-N			Folates/1C metabolism	RTI	completed ^‡	REQUEST
AICA Ribonucleotide	XOGIBYSEXZJKHY-UIPKGFOGSA-N	unlabelled parent^*		Nucleotide pathways: purine biosynthesis	RTI	completed ^*	REQUEST
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	REQUEST
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 ^*	REQUEST
2-keto-3-deoxygluconate	WPAMZTWLKIDIOP-WVZVXSGGSA-N			Miscellaneous/drugs	SRI	completed	REQUEST
Cholamine Bromide	VSZWLDAGOXQHNB-UHFFFAOYSA-M	unlabelled parent^*		Reagents	SRI	completed ^*	REQUEST
15N-Cholamine Bromide	VSZWLDAGOXQHNB-NWZHYJCUSA-M	¹⁵N	Please see Anal Chem. 2013 Sep 17;85(18):8715-21.	Reagents	SRI	completed	REQUEST
Dihydroorotic acid	UFIVEPVSAGBUSI-UHFFFAOYSA-N	unlabelled parent^*		Nucleotide pathways: pyrimidine biosynthesis	RTI	synthesis in process ^*
U13C-(–)-4,5-Dihydroorotic acid	UFIVEPVSAGBUSI-UHFFFAOYSA-N	¹³C		Nucleotide pathways: pyrimidine biosynthesis	RTI	completed	REQUEST
Dimethyl α-ketoglutarate	TXIXSLPEABAEHP-UHFFFAOYSA-N	¹³C	1,2,3,4,5-¹³C5	Krebs cycle	RTI	completed	REQUEST
Dimethyl α-ketoglutarate	TXIXSLPEABAEHP-UHFFFAOYSA-N	unlabelled parent^*		Krebs cycle	RTI	completed ^*	REQUEST
(6R)-5,10-methylenetetrahydrofolate	QYNUQALWYRSVHF-OLZOCXBDSA-N	¹³C		Folates/1C metabolism	RTI	synthesis in process ^‡
5-formyl-2'-deoxycytosine	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	REQUEST
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	REQUEST
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 ^‡	REQUEST
glucose-6-phosphate	NBSCHQHZLSJFNQ-GASJEMHNSA-N	¹³C	uniform enrichment	Glycolysis	SRI	completed	REQUEST
Itaconic acid	LVHBHZANLOWSRM-UHFFFAOYSA-N	¹³C	uniform enrichment though any 2 positions also would suffice	Krebs cycle	SRI	completed	REQUEST
Malioxamycin	KXQRAPMNPUXYGT-VDTYLAMSSA-N			Miscellaneous/drugs	RTI	completed	REQUEST
D-Ribose 5-phosphate	KTVPXOYAKDPRHY-SOOFDHNKSA-N	¹³C	uniform enrichment	Pentose phosphate: non-oxidative branch	SRI	completed	REQUEST
6-phosphogluconolactone	IJOJIVNDFQSGAB-SQOUGZDYSA-N	¹³C	uniform enrichment	Pentose phosphate: oxidative branch	SRI	completed	REQUEST
2-hydroxyglutaric acid	HWXBTNAVRSUOJR-UHFFFAOYSA-N	¹³C	uniform enrichment	Krebs cycle	SRI	completed	REQUEST
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	REQUEST
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	REQUEST
[15N2,13C]-5-Formylcytosine	FHSISDGOVSHJRW-QIOHBQFSSA-N	¹⁵N, ¹³C			SRI	completed	REQUEST
5-carboxy-2'-dCytosine	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	synthesis in process
Carbamoyl phosphate	FFQKYPRQEYGKAF-UHFFFAOYSA-N	¹³C		Nucleotide pathways: pyrimidine biosynthesis	RTI	completed	REQUEST
Carbamoyl phosphate	FFQKYPRQEYGKAF-UHFFFAOYSA-N	unlabelled parent^*		Nucleotide pathways: pyrimidine biosynthesis	RTI	synthesis in process ^*
15NQDA	CSRAQSNOQWXULC-XOJMRSMASA-M	¹⁵N	2-¹⁵Naminooxyethyl	Reagents	SRI	completed	REQUEST
QDA Iodide	CSRAQSNOQWXULC-UHFFFAOYSA-M	unlabelled parent^*		Reagents	SRI	completed	REQUEST
13CD3-QA Iodide	CSRAQSNOQWXULC-HBKQTYJLSA-M	¹³C + ²H	both on one mehyl group	Reagents	SRI	completed	REQUEST
NADH	BOPGDPNILDQYTO-NNYOXOHSSA-N	unlabelled parent^*		Redox/coenzymes	RTI	synthesis in process ^*
5-carboxylcytosine	BLQMCTXZEMGOJM-UHFFFAOYSA-N			Epigenetics	SRI	completed	REQUEST
[15N2,13C]-5-Carboxycytosine	BLQMCTXZEMGOJM-QIOHBQFSSA-N	¹⁵N, ¹³C			SRI	completed	REQUEST
6-phosphogluconic acid	BIRSGZKFKXLSJQ-SQOUGZDYSA-N	¹³C	uniform enrichment	Pentose phosphate: oxidative branch	SRI	completed	REQUEST
Fructose-6-phosphate	BGWGXPAPYGQALX-ARQDHWQXSA-N	¹³C	uniform enrichment	Glycolysis	SRI	completed	REQUEST
NAD+	BAWFJGJZGIEFAR-NNYOXOHSSA-O	unlabelled parent^*		Redox/coenzymes	RTI	synthesis in process ^*
10-Formyl-tetrahydrofolic acid	AUFGTPPARQZWDO-YUZLPWPTSA-N			Folates/1C metabolism	RTI	completed	REQUEST
(6R,S)-5,10-Methylene-5,6,7,8-tetrahydrofolic acid, calcium salt	AKUPTUNGFOADRT-ZEDZUCNESA-L	unlabelled parent^*		Folates/1C metabolism	RTI	completed ^*	REQUEST
NADPH	ACFIXJIJDZMPPO-NNYOXOHSSA-N	unlabelled parent^*		Redox/coenzymes	RTI	synthesis in process ^*
NADPH		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
11β-Hydroxyandrostenedione-d3		²H	carbons 1,6,7	Steroids/bioactive lipids	RTI	completed ^‡	REQUEST
NADH labeled		uniform enrichment		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						synthesis in process ^‡
CDP-choline		²H	perdeuteration 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.

See all compounds, including all nominations