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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-methyl-5-oxo-octanedioyl-CoA(5−)
ChEBI ID CHEBI:167103
ChEBI ASCII Name 4-methyl-5-oxo-octanedioyl-CoA(5-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H43N7O20P3S
Net Charge -5
Average Mass 946.690
Monoisotopic Mass 946.15239
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
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC(C(CCC([O-])=O)=O)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 4-methyl-5-oxo-octanedioyl-CoA(5−) (CHEBI:167103) is a acyl-CoA(4−) (CHEBI:58342)
Synonyms Sources
4-methyl-5-oxo-octanedioyl-CoA UniProt
MOODA-CoA(5−) SUBMITTER
Manual Xref Database
CPD-21416 MetaCyc accession
View more database links
Citations Waiting for Citations Types Sources
28377529 PubMed citation SUBMITTER
29581275 PubMed citation SUBMITTER