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CHEBI:80459 - 3-Oxo-OPC4-CoA

ChEBI IDCHEBI:80459
ChEBI Name3-Oxo-OPC4-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC35H54N7O19P3S
Net Charge0
Average Mass1001.836
Monoisotopic Mass1001.24080
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=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/C35H54N7O19P3S/c1-4-5-6-7-22-20(8-9-23(22)44)14-21(43)15-26(46)65-13-12-37-25(45)10-11-38-33(49)30(48)35(2,3)17-58-64(55,56)61-63(53,54)57-16-24-29(60-62(50,51)52)28(47)34(59-24)42-19-41-27-31(36)39-18-40-32(27)42/h5-6,18-20,22,24,28-30,34,47-48H,4,7-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b6-5-/t20-,22+,24-,28-,29-,30?,34-/m1/s1
InChIKeyQGJLCXXJEFRWHP-ZRHHFSRKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
3-Oxo-OPC4-CoA (CHEBI:80459) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16338KEGG COMPOUND