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CHEBI:140735 - 7-methyloctanoyl-CoA(4−)

ChEBI IDCHEBI:140735
ChEBI Name7-methyloctanoyl-CoA(4−)
Stars
ASCII Name7-methyloctanoyl-CoA(4-)
DefinitionAn acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 7-methyloctanoyl-CoA. Major species at pH 7.3.
Last Modified5 September 2019
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H48N7O17P3S
Net Charge-4
Average Mass903.735
Monoisotopic Mass903.20622
SMILESCC(C)CCCCCC(=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-]
InChIInChI=1S/C30H52N7O17P3S/c1-18(2)8-6-5-7-9-21(39)58-13-12-32-20(38)10-11-33-28(42)25(41)30(3,4)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-19,23-25,29,40-41H,5-15H2,1-4H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t19-,23-,24-,25+,29-/m1/s1
InChIKeyVLQMJDKLPNKZNA-FUEUKBNZSA-J
ChEBI Ontology
Outgoing Relation(s)
7-methyloctanoyl-CoA(4−) (CHEBI:140735) is a acyl-CoA oxoanion (CHEBI:58946)
7-methyloctanoyl-CoA(4−) (CHEBI:140735) is conjugate base of 7-methyloctanoyl-CoA (CHEBI:140734)
Incoming Relation(s)
7-methyloctanoyl-CoA (CHEBI:140734) is conjugate acid of 7-methyloctanoyl-CoA(4−) (CHEBI:140735)
Synonyms  Source
7-methylcapryloyl-CoA(4−)ChEBI
7-methylcapryloyl-coenzyme A(4−)ChEBI
Citations