CHEBI:167615 - 2-methylpentanoyl-CoA(4−)

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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 2-methylpentanoyl-CoA(4−)
ChEBI ID CHEBI:167615
ChEBI ASCII Name 2-methylpentanoyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C27H42N7O17P3S
Net Charge -4
Average Mass 861.650
Monoisotopic Mass 861.15927
InChI InChI=1S/C27H46N7O17P3S/c1-5-6-15(2)26(39)55-10-9-29-17(35)7-8-30-24(38)21(37)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-20(50-52(40,41)42)19(36)25(49-16)34-14-33-18-22(28)31-13-32-23(18)34/h13-16,19-21,25,36-37H,5-12H2,1-4H3,(H,29,35)(H,30,38)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t15?,16-,19-,20-,21+,25-/m1/s1
InChIKey LHPULTTWLKQXCY-XGGCCDIMSA-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(C(CCC)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 2-methylpentanoyl-CoA(4−) (CHEBI:167615) is a acyl-CoA(4−) (CHEBI:58342)
2-methylpentanoyl-CoA(4−) (CHEBI:167615) is a fatty acyl-CoA(4−) (CHEBI:77636)
Synonym Source
2-methylpentanoyl-CoA UniProt
Citation Waiting for Citations Type Source
23300257 PubMed citation SUBMITTER