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CHEBI:167102 - 6-methyl-3,7-dioxodecanedioyl-CoA(5−)

ChEBI IDCHEBI:167102
ChEBI Name6-methyl-3,7-dioxodecanedioyl-CoA(5−)
Stars
ASCII Name6-methyl-3,7-dioxodecanedioyl-CoA(5-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H45N7O21P3S
Net Charge-5
Average Mass988.729
Monoisotopic Mass988.16295
SMILESCC(CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](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-])C(=O)CCC(=O)[O-]
InChIInChI=1S/C32H50N7O21P3S/c1-17(19(41)6-7-22(43)44)4-5-18(40)12-23(45)64-11-10-34-21(42)8-9-35-30(48)27(47)32(2,3)14-57-63(54,55)60-62(52,53)56-13-20-26(59-61(49,50)51)25(46)31(58-20)39-16-38-24-28(33)36-15-37-29(24)39/h15-17,20,25-27,31,46-47H,4-14H2,1-3H3,(H,34,42)(H,35,48)(H,43,44)(H,52,53)(H,54,55)(H2,33,36,37)(H2,49,50,51)/p-5/t17?,20-,25-,26-,27+,31-/m1/s1
InChIKeyAXSVBUFHIJJGAA-UKABSPJOSA-I
ChEBI Ontology
Outgoing Relation(s)
6-methyl-3,7-dioxodecanedioyl-CoA(5−) (CHEBI:167102) is a acyl-CoA(4−) (CHEBI:58342)
Synonym  Source
MeDODA-CoA(5−)SUBMITTER
UniProt Name  Source
6-methyl-3,7-dioxodecanedioyl-CoAUniProt
Manual XrefsDatabases
CPD-21415MetaCyc
Citations