Metabolite Reference Standards and Reagents: All Compounds

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Compound ID	Common Name	InChiKey	Isotopic Label Type	Isotopic Label Position	Pathway Cassette	MSSC	Status	Request this compound
179	18-Hydroxy-1,18,18-trideuterocorticosterone	WTPMRQZHJLJSBO-BYUZBNOLSA-N			Steroids/bioactive lipids	RTI	synthesis in process
178	11-keto-1,6,7-trideuterotestosterone	WTPMRQZHJLJSBO-FLDABYKKSA-N			Steroids/bioactive lipids	RTI	completed	REQUEST
6	Malioxamycin	KXQRAPMNPUXYGT-VDTYLAMSSA-N			Miscellaneous/drugs	RTI	completed	REQUEST
96	fructose 2,6 bisphosphate	YXWOAJXNVLXPMU-ZXXMMSQZSA-N			Glycolysis	SRI	synthesis in process ^*
175	(6R,S)-5,10-Methenyl-5,6,7,8-tetrahydrofolic acid, chloride	NDMWNIVQVBEIJX-ZEDZUCNESA-N			Folates/1C metabolism	RTI	completed ^‡	REQUEST
173	5-Formimino-tetrahydrofolic acid	YCWUVLPMLLBDCU-OLZOCXBDSA-N			Folates/1C metabolism	RTI	completed ^‡	REQUEST
210	Symmetric Dimethylarginine	HVPFXCBJHIIJGS-LURJTMIESA-N			Epigenetics		nominated
7	2-keto-3-deoxygluconate	WPAMZTWLKIDIOP-WVZVXSGGSA-N			Miscellaneous/drugs	SRI	completed	REQUEST
216	5-formylcytosine	FHSISDGOVSHJRW-UHFFFAOYSA-N			Epigenetics	SRI	completed	REQUEST
215	5-carboxylcytosine	BLQMCTXZEMGOJM-UHFFFAOYSA-N			Epigenetics	SRI	completed	REQUEST
221	2-Oxo-20-trihydroxy-leukotriene B4	QVZXILIWUPKGPA-CYHXRQOESA-N			Steroids/bioactive lipids		nominated
177	18-hydroxy-1,18,18-trideuterocortisol	HESFZGWRDUVOMS-YTTWDCMTSA-N			Steroids/bioactive lipids	RTI	synthesis in process ^‡
90	Glucosyl (β) sphingosine (d17:1)	DQIGRQVQNXMBJY-XAYNVVOESA-N			Steroids/bioactive lipids	NA	declined
9	Creatine Riboside	BGJFEKXALPJEGN-XVFCMESISA-N				SRI	dropped
40	10-Formyl-tetrahydrofolic acid	AUFGTPPARQZWDO-YUZLPWPTSA-N			Folates/1C metabolism	RTI	completed	REQUEST
220	Metabolon Lactone X12063	IJIWKJRHDDIJKI-HGEVZRBZSA-N			Miscellaneous/drugs		nominated
230	UDP-NAcglucosamine	LFTYTUAZOPRMMI-CFRASDGPSA-N	13	¹³C₆ hexose			nominated
26	Dimethyl α-ketoglutarate	TXIXSLPEABAEHP-UHFFFAOYSA-N	¹³C	1,2,3,4,5-¹³C5	Krebs cycle	RTI	completed	REQUEST
227	UDP-glucose	HSCJRCZFDFQWRP-JZMIEXBBSA-N	¹³C	glucose subunit, all 6 positions			nominated
223	5-formyl-2’-deoxy-Cytidine	QBADNGFALQJSIH-XLPZGREQSA-N	¹³C	All of the cytosine ring	Epigenetics		synthesis in process
76	Itaconic acid	LVHBHZANLOWSRM-UHFFFAOYSA-N	¹³C	uniform enrichment though any 2 positions also would suffice	Krebs cycle	SRI	completed	REQUEST
217	1-Monoethyl malate	FHHFKGGCXNOIAY-PTQBSOBMSA-N	¹³C	1 position of malate	Krebs cycle	SRI	completed	REQUEST
77	2-hydroxyglutaric acid	HWXBTNAVRSUOJR-UHFFFAOYSA-N	¹³C	uniform enrichment	Krebs cycle	SRI	completed	REQUEST
222	5-carboxy-2’-deoxy-Cytidine	FHPQEVWDHUHVGT-RRKCRQDMSA-N	¹³C	all carbons on the cytosine	Epigenetics		synthesis in process
211	Symmetric Dimethylarginine labeled	HVPFXCBJHIIJGS-LURJTMIESA-N	¹³C	All carbons	Epigenetics		nominated
228	UDP-galactose	HSCJRCZFDFQWRP-UHFFFAOYSA-N	¹³C	all 6 C in hexose			nominated
229	GDP Mannose	MVMSCBBUIHUTGJ-GDJBGNAASA-N	¹³C	all 6 position in the mannose subunit			nominated
232	iso palmitic acid	ZONJATNKKGGVSU-UHFFFAOYSA-N	¹³C	13,14,15,15'-¹³C4			nominated
213	13CD3-QA Iodide	CSRAQSNOQWXULC-HBKQTYJLSA-M	¹³C + ²H	both on one mehyl group	Reagents	SRI	completed	REQUEST
11	Fumaric acid (2,3-13C and 2,3-2H labeled)	VZCYOOQTPOCHFL-OWOJBTEDSA-N	¹³C, ²H	2,3	Krebs cycle	NA	declined
224	5-Hydroxymethyl-2''-deoxycytidine-4,5,hydroxymethyl-13C3		¹³C3				synthesis in process ^‡
5	rel-[13C]Tetrahydroxyphenanthrene	NXXFPJMAQQHDHQ-OANWKOAXSA-N	¹³C₆	ring-¹³C₆	Miscellaneous/drugs	SRI	synthesis in process
83	15N-Cholamine Bromide	VSZWLDAGOXQHNB-NWZHYJCUSA-M	¹⁵N	Please see Anal Chem. 2013 Sep 17;85(18):8715-21.	Reagents	SRI	completed	REQUEST
214	15NQDA	CSRAQSNOQWXULC-XOJMRSMASA-M	¹⁵N	2-¹⁵Naminooxyethyl	Reagents	SRI	completed	REQUEST
226	[15N2,13C]-5-Formylcytosine	FHSISDGOVSHJRW-QIOHBQFSSA-N	¹⁵N, ¹³C			SRI	completed	REQUEST
225	[15N2,13C]-5-Carboxycytosine	BLQMCTXZEMGOJM-QIOHBQFSSA-N	¹⁵N, ¹³C			SRI	completed	REQUEST
84	NADP-stable isotope label	XJLXINKUBYWONI-NNYOXOHSSA-O	1H,¹³C,¹⁵N or any combination thereof	and that are stable to back-exchange	Redox/coenzymes	RTI	synthesis in process ^†
231	CDP-choline	RZZPDXZPRHQOCG-OJAKKHQRSA-N	²H	perdeuteration of choline (D13)			synthesis in process
85	NADPH	ACFIXJIJDZMPPO-NNYOXOHSSA-N	²H,¹³C,¹⁵N at least 5, in any combination	any 5 atoms or more	Redox/coenzymes	RTI	synthesis in process ^†
82	NAD+ labeled	BAWFJGJZGIEFAR-NNYOXOHSSA-O	²H,¹³C, or ¹⁵N or combinations thereof	Any 5-should be more than 4 total	Redox/coenzymes	RTI	completed ^†
81	NADH	BOPGDPNILDQYTO-NNYOXOHSSA-N	²H,¹³C, or ¹⁵N or combinations thereof	Any 5-should be more than 4 total	Redox/coenzymes	RTI	synthesis in process ^†
61	D-Erythrose 4-phosphate	NGHMDNPXVRFFGS-IUYQGCFVSA-N	¹³C	uniform enrichment	Pentose phosphate: non-oxidative branch	SRI	synthesis in process
54	6-phosphogluconolactone	IJOJIVNDFQSGAB-SQOUGZDYSA-N	¹³C	uniform enrichment	Pentose phosphate: oxidative branch	SRI	completed	REQUEST
57	D-Ribulose 5-phosphate	FNZLKVNUWIIPSJ-UHNVWZDZSA-N	¹³C	uniform enrichment	Pentose phosphate: oxidative branch	SRI	completed	REQUEST
52	glucose-6-phosphate	NBSCHQHZLSJFNQ-GASJEMHNSA-N	¹³C	uniform enrichment	Glycolysis	SRI	completed	REQUEST
53	Fructose-6-phosphate	BGWGXPAPYGQALX-ARQDHWQXSA-N	¹³C	uniform enrichment	Glycolysis	SRI	completed	REQUEST
74	(6R)-5,10-methylenetetrahydrofolate	QYNUQALWYRSVHF-OLZOCXBDSA-N	¹³C		Folates/1C metabolism	RTI	synthesis in process ^‡
59	D-Xylulose 5-phosphate	FNZLKVNUWIIPSJ-RFZPGFLSSA-N	¹³C	uniform enrichment	Pentose phosphate: non-oxidative branch	SRI	synthesis in process
73	U13C-AICA Ribonucleotide	NOTGFIUVDGNKRI-UUOKFMHZSA-N	¹³C		Nucleotide pathways: purine biosynthesis	RTI	completed	REQUEST
71	(S)-4,5-Dihydroorotic-4,5,6,carboxy-13C4 acid	UFIVEPVSAGBUSI-UHFFFAOYSA-N	¹³C		Nucleotide pathways: pyrimidine biosynthesis	RTI	completed	REQUEST
72	Orotic-4,5,6-carboxy-13C4 Acid Monohydrate	PXQPEWDEAKTCGB-UHFFFAOYSA-N	¹³C		Nucleotide pathways: pyrimidine biosynthesis	RTI	completed	REQUEST
60	D-Sedoheptulose-7-phosphate	CBIDVWSRUUODHL-QTSLKERKSA-N	¹³C	either C1+C2 or C3 to C7	Pentose phosphate: non-oxidative branch	SRI	synthesis in process ^†
58	D-Ribose 5-phosphate	KTVPXOYAKDPRHY-SOOFDHNKSA-N	¹³C	uniform enrichment	Pentose phosphate: non-oxidative branch	SRI	completed	REQUEST
55	6-phosphogluconic acid	BIRSGZKFKXLSJQ-SQOUGZDYSA-N	¹³C	uniform enrichment	Pentose phosphate: oxidative branch	SRI	completed	REQUEST
70	Carbamoyl phosphate	FFQKYPRQEYGKAF-UHFFFAOYSA-N	¹³C, ¹⁵N		Nucleotide pathways: pyrimidine biosynthesis	RTI	completed	REQUEST
219	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
180	11β-Hydroxyandrostenedione-d3		²H	carbons 1,6,7	Steroids/bioactive lipids	RTI	completed ^‡	REQUEST
176	18-hydroxy-1,6,7-trideuterocortisol	HESFZGWRDUVOMS-AZFBHEKGSA-N	²H		Steroids/bioactive lipids	RTI	synthesis in process ^‡
44	11β-hydroxyandrostenedione (d-4)	WSCUHXPGYUMQEX-KCZNZURUSA-N	²H	at carbons 1,2,6,7	Steroids/bioactive lipids	RTI	nominated ^†
15	D-glucose (Uniformly deuterated. 13C labeled at the C3 and C4 positions)	WQZGKKKJIJFFOK-GASJEMHNSA-N	²H, ¹³C	[U-D, 3,4-¹³C]glucose	Glycolysis	NA	declined
43	18β-hydroxycortisol	HESFZGWRDUVOMS-FJNAKSJRSA-N	either -d3 or ¹³C3 or greater	any non-exhangeable position	Steroids/bioactive lipids	RTI	synthesis in process ^†
8	3-Deoxyarabino-hexonic acid	YGMNHEPVTNXLLS-VAYJURFESA-N	NA	NA	Miscellaneous/drugs	SRI	completed	REQUEST
27	Resolvin E1	AOPOCGPBAIARAV-OTBJXLELSA-N	n/a	n/a	Steroids/bioactive lipids	NA	declined
45	18-oxo-tetrahydrocortisol	ONUUOQCMEFWOSB-ASTGPZOCSA-N	NA	NA	Steroids/bioactive lipids	RTI	synthesis in process
233	alpha-ketoisocaproate-13C6	t	t	t	branched-chain amino acid oxidation		completed	REQUEST
234	alpha-keto-beta-methylvalerate-13C6	t	t	t	branched-chain amino acid oxidation		completed	REQUEST
95	fructose 2,6 bisphosphate		U-¹³C	U-¹³C	Glycolysis	SRI	synthesis in process
201	NADPH		uniform enrichment		Redox/coenzymes	RTI	synthesis in process ^‡
204	NADP+ labeled		uniform enrichment		Redox/coenzymes	RTI	synthesis in process ^‡
203	NADH labeled		uniform enrichment		Redox/coenzymes	RTI	synthesis in process ^‡
205	NAD+		uniform enrichment		Redox/coenzymes	RTI	synthesis in process ^‡
218	Acetaminophen	RZVAJINKPMORJF-UHFFFAOYSA-N	Uniformly ¹³C labeled acetaminophen	All carbon (eight carbon)	Miscellaneous/drugs		nominated
212	QDA Iodide	CSRAQSNOQWXULC-UHFFFAOYSA-M	unlabelled parent^*		Reagents	SRI	completed	REQUEST
197	AICA Ribonucleotide	XOGIBYSEXZJKHY-UIPKGFOGSA-N	unlabelled parent^*		Nucleotide pathways: purine biosynthesis	RTI	completed ^*	REQUEST
187	18-Hydroxycorticosterone	HFSXHZZDNDGLQN-ZVIOFETBSA-N	unlabelled parent^*		Steroids/bioactive lipids	RTI	synthesis in process ^*
182	rel-Tetrahydroxyphenanthrene		unlabelled parent^*		Miscellaneous/drugs	SRI	synthesis in process ^*
181	11β-Hydroxyandrostenedione	WSCUHXPGYUMQEX-KCZNZURUSA-N	unlabelled parent^*		Steroids/bioactive lipids	RTI	completed ^*	REQUEST
200	NADP+	XJLXINKUBYWONI-NNYOXOHSSA-O	unlabelled parent^*		Redox/coenzymes	RTI	synthesis in process ^*
183	Dimethyl α-ketoglutarate	TXIXSLPEABAEHP-UHFFFAOYSA-N	unlabelled parent^*		Krebs cycle	RTI	completed ^*	REQUEST
198	NAD+	BAWFJGJZGIEFAR-NNYOXOHSSA-O	unlabelled parent^*		Redox/coenzymes	RTI	synthesis in process ^*
196	Dihydroorotic acid	UFIVEPVSAGBUSI-UHFFFAOYSA-N	unlabelled parent^*		Nucleotide pathways: pyrimidine biosynthesis	RTI	synthesis in process ^*
202	Cholamine Bromide	VSZWLDAGOXQHNB-UHFFFAOYSA-M	unlabelled parent^*		Reagents	SRI	completed ^*	REQUEST
194	Carbamoyl phosphate	FFQKYPRQEYGKAF-UHFFFAOYSA-N	unlabelled parent^*		Nucleotide pathways: pyrimidine biosynthesis	RTI	synthesis in process ^*
174	(6R,S)-5,10-Methylene-5,6,7,8-tetrahydrofolic acid, calcium salt	AKUPTUNGFOADRT-ZEDZUCNESA-L	unlabelled parent^*		Folates/1C metabolism	RTI	completed ^*	REQUEST
199	NADH	BOPGDPNILDQYTO-NNYOXOHSSA-N	unlabelled parent^*		Redox/coenzymes	RTI	synthesis in process ^*
206	NADPH	ACFIXJIJDZMPPO-NNYOXOHSSA-N	unlabelled parent^*		Redox/coenzymes	RTI	synthesis in process ^*
186	18-Hydroxycortisol	HESFZGWRDUVOMS-UKSDXMLSSA-N	unlabelled parent^*		Steroids/bioactive lipids	RTI	synthesis in process ^*

Number of records: 87

^* 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 compounds approved for synthesis | completed compounds