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CHEBI:80451 - 3-Oxo-OPC8-CoA

ChEBI IDCHEBI:80451
ChEBI Name3-Oxo-OPC8-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC39H62N7O19P3S
Net Charge0
Average Mass1057.944
Monoisotopic Mass1057.30340
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyYYCCMACTOAJGGW-JLHHJELJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
3-Oxo-OPC8-CoA (CHEBI:80451) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16330KEGG COMPOUND