Metabolite Reference Standards and Reagents: All Compounds
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Structure | 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 | ||||
6 | Malioxamycin | KXQRAPMNPUXYGT-VDTYLAMSSA-N | Miscellaneous/drugs | RTI | completed | ||||
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 ‡ | ||||
173 | 5-Formimino-tetrahydrofolic acid | YCWUVLPMLLBDCU-OLZOCXBDSA-N | Folates/1C metabolism | RTI | completed ‡ | ||||
210 | Symmetric Dimethylarginine | HVPFXCBJHIIJGS-LURJTMIESA-N | Epigenetics | nominated | |||||
7 | 2-keto-3-deoxygluconate | WPAMZTWLKIDIOP-WVZVXSGGSA-N | Miscellaneous/drugs | SRI | completed | ||||
216 | 5-formylcytosine | FHSISDGOVSHJRW-UHFFFAOYSA-N | Epigenetics | SRI | completed | ||||
215 | 5-carboxylcytosine | BLQMCTXZEMGOJM-UHFFFAOYSA-N | Epigenetics | SRI | completed | ||||
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 | ||||
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 | ||
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 | ||
217 | 1-Monoethyl malate | FHHFKGGCXNOIAY-PTQBSOBMSA-N | 13C | 1 position of malate | Krebs cycle | SRI | completed | ||
77 | 2-hydroxyglutaric acid | HWXBTNAVRSUOJR-UHFFFAOYSA-N | 13C | uniform enrichment | Krebs cycle | SRI | completed | ||
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 | ||
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 | ||
214 | 15NQDA | CSRAQSNOQWXULC-XOJMRSMASA-M | 15N | 2-15Naminooxyethyl | Reagents | SRI | completed | ||
226 | [15N2,13C]-5-Formylcytosine | FHSISDGOVSHJRW-QIOHBQFSSA-N | 15N, 13C | SRI | completed | ||||
225 | [15N2,13C]-5-Carboxycytosine | BLQMCTXZEMGOJM-QIOHBQFSSA-N | 15N, 13C | SRI | completed | ||||
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 | ||
57 | D-Ribulose 5-phosphate | FNZLKVNUWIIPSJ-UHNVWZDZSA-N | 13C | uniform enrichment | Pentose phosphate: oxidative branch | SRI | completed | ||
52 | glucose-6-phosphate | NBSCHQHZLSJFNQ-GASJEMHNSA-N | 13C | uniform enrichment | Glycolysis | SRI | completed | ||
53 | Fructose-6-phosphate | BGWGXPAPYGQALX-ARQDHWQXSA-N | 13C | uniform enrichment | Glycolysis | SRI | completed | ||
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 | |||
71 | (S)-4,5-Dihydroorotic-4,5,6,carboxy-13C4 acid | UFIVEPVSAGBUSI-UHFFFAOYSA-N | 13C | Nucleotide pathways: pyrimidine biosynthesis | RTI | completed | |||
72 | Orotic-4,5,6-carboxy-13C4 Acid Monohydrate | PXQPEWDEAKTCGB-UHFFFAOYSA-N | 13C | Nucleotide pathways: pyrimidine biosynthesis | RTI | completed | |||
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 | ||
55 | 6-phosphogluconic acid | BIRSGZKFKXLSJQ-SQOUGZDYSA-N | 13C | uniform enrichment | Pentose phosphate: oxidative branch | SRI | completed | ||
70 | Carbamoyl phosphate | FFQKYPRQEYGKAF-UHFFFAOYSA-N | 13C, 15N | Nucleotide pathways: pyrimidine biosynthesis | RTI | completed | |||
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 ‡ | |||
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 | ||
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 | |||
234 | alpha-keto-beta-methylvalerate-13C6 | t | t | t | branched-chain amino acid oxidation | completed | |||
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 | |||
197 | AICA Ribonucleotide | XOGIBYSEXZJKHY-UIPKGFOGSA-N | unlabelled parent * | Nucleotide pathways: purine biosynthesis | RTI | completed * | |||
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 * | |||
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 * | |||
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 * | |||
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 * | |||
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.