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CHEBI:80455 - 3-Oxo-OPC6-CoA

ChEBI IDCHEBI:80455
ChEBI Name3-Oxo-OPC6-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC37H58N7O19P3S
Net Charge0
Average Mass1029.890
Monoisotopic Mass1029.27210
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCC(=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/C37H58N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-22,24,26,30-32,36,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,24-,26+,30+,31+,32?,36+/m0/s1
InChIKeyADGIRVMSHGGGHU-VITLBFIYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
3-Oxo-OPC6-CoA (CHEBI:80455) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16334KEGG COMPOUND