CHEBI:34886 - Naphthyl-2-oxomethyl-succinyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Naphthyl-2-oxomethyl-succinyl-CoA
ChEBI ID CHEBI:34886
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H46N7O20P3S
Net Charge 0
Average Mass 1021.774
Monoisotopic Mass 1021.17312
InChI InChI=1S/C36H46N7O20P3S/c1-36(2,30(49)33(50)39-10-9-24(44)38-11-12-67-35(51)22(14-25(45)46)27(47)21-8-7-19-5-3-4-6-20(19)13-21)16-60-66(57,58)63-65(55,56)59-15-23-29(62-64(52,53)54)28(48)34(61-23)43-18-42-26-31(37)40-17-41-32(26)43/h3-8,13,17-18,22-23,28-30,34,48-49H,9-12,14-16H2,1-2H3,(H,38,44)(H,39,50)(H,45,46)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t22?,23-,28-,29-,30?,34-/m1/s1
InChIKey GXAPHCAQTPKOBU-NWIMEVMBSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(=O)c1ccc2ccccc2c1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing Naphthyl-2-oxomethyl-succinyl-CoA (CHEBI:34886) is a polyol (CHEBI:26191)
Synonym Source
Naphthyl-2-oxomethyl-succinyl-CoA KEGG COMPOUND
Manual Xref Database
C14119 KEGG COMPOUND
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Last Modified
27 January 2016