4-methyl-5-oxo-octanedioyl-CoA(5-) (CHEBI:167103)

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CHEBI:167103 - 4-methyl-5-oxo-octanedioyl-CoA(5−)

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ChEBI ID	CHEBI:167103
ChEBI Name	4-methyl-5-oxo-octanedioyl-CoA(5−)
Stars
ASCII Name	4-methyl-5-oxo-octanedioyl-CoA(5-)
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C30H43N7O20P3S
Net Charge	-5
Average Mass	946.692
Monoisotopic Mass	946.15239
SMILES	CC(CCC(=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-]
InChI	InChI=1S/C30H48N7O20P3S/c1-16(17(38)5-6-20(40)41)4-7-21(42)61-11-10-32-19(39)8-9-33-28(45)25(44)30(2,3)13-54-60(51,52)57-59(49,50)53-12-18-24(56-58(46,47)48)23(43)29(55-18)37-15-36-22-26(31)34-14-35-27(22)37/h14-16,18,23-25,29,43-44H,4-13H2,1-3H3,(H,32,39)(H,33,45)(H,40,41)(H,49,50)(H,51,52)(H2,31,34,35)(H2,46,47,48)/p-5/t16?,18-,23-,24-,25+,29-/m1/s1
InChIKey	OAGAGDFENNYUCN-VGNFRWPCSA-I

ChEBI Ontology

Outgoing Relation(s)
	4-methyl-5-oxo-octanedioyl-CoA(5−) (CHEBI:167103) is a acyl-CoA(4−) (CHEBI:58342)

Synonym	Source
MOODA-CoA(5−)	SUBMITTER

UniProt Name	Source
4-methyl-5-oxo-octanedioyl-CoA	UniProt

Manual Xrefs	Databases
CPD-21416	MetaCyc

Citations