CHEBI:80451 - 3-Oxo-OPC8-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Oxo-OPC8-CoA
ChEBI ID CHEBI:80451
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H62N7O19P3S
Net Charge 0
Average Mass 1057.93100
Monoisotopic Mass 1057.30340
InChI InChI=1S/C39H62N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-24,26,28,32-34,38,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b7-5-/t24-,26-,28+,32+,33+,34?,38+/m0/s1
InChIKey YYCCMACTOAJGGW-JLHHJELJSA-N
SMILES CC\C=C/C[C@H]1[C@@H](CCCCCC(=O)CC(=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 3-Oxo-OPC8-CoA (CHEBI:80451) is a organic molecule (CHEBI:72695)
Manual Xref Database
C16330 KEGG COMPOUND
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Last Modified
27 January 2016