CHEBI:131445 - 4-methylpentanoyl-CoA(4−)

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ChEBI Name 4-methylpentanoyl-CoA(4−)
ChEBI ID CHEBI:131445
ChEBI ASCII Name 4-methylpentanoyl-CoA(4-)
Definition A fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 4-methylpentanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C27H42N7O17P3S
Net Charge -4
Average Mass 861.648
Monoisotopic Mass 861.15927
InChI InChI=1S/C27H46N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20-,21-,22+,26-/m1/s1
InChIKey GESPQCUXDWNNGU-HDRQGHTBSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCC(C)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-methylpentanoyl-CoA(4−) (CHEBI:131445) has role bacterial metabolite (CHEBI:76969)
4-methylpentanoyl-CoA(4−) (CHEBI:131445) is a fatty acyl-CoA(4−) (CHEBI:77636)
4-methylpentanoyl-CoA(4−) (CHEBI:131445) is conjugate base of 4-methylpentanoyl-CoA (CHEBI:131951)
Incoming 4-methylpentanoyl-CoA (CHEBI:131951) is conjugate acid of 4-methylpentanoyl-CoA(4−) (CHEBI:131445)
Synonyms Sources
4-methylpentanoyl-CoA UniProt
isocaproyl-CoA SUBMITTER
Manual Xref Database
CPD-17494 MetaCyc
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Citation Waiting for Citations Type Source
16957230 PubMed citation SUBMITTER
Last Modified
18 May 2016