CHEBI:80448 - OPC8-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name OPC8-CoA
ChEBI ID CHEBI:80448
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H64N7O18P3S
Net Charge 0
Average Mass 1043.94800
Monoisotopic Mass 1043.32414
InChI InChI=1S/C39H64N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,23-26,28,32-34,38,50-51H,4,6-8,10-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-/t25-,26-,28+,32+,33+,34?,38+/m0/s1
InChIKey JZIQDJLBFKTBAK-NGMBVTCHSA-N
SMILES CC\C=C/C[C@H]1[C@@H](CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)CCC1=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing OPC8-CoA (CHEBI:80448) is a organic molecule (CHEBI:72695)
Manual Xref Database
C16327 KEGG COMPOUND
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Last Modified
27 January 2016