CHEBI:138404 - (E)-hex-4-enoyl-CoA(4−)

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ChEBI Name (E)-hex-4-enoyl-CoA(4−)
ChEBI ID CHEBI:138404
ChEBI ASCII Name (E)-hex-4-enoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (E)-hex-4-enoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C27H40N7O17P3S
Net Charge -4
Average Mass 859.632
Monoisotopic Mass 859.14362
InChI InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h4-5,14-16,20-22,26,37-38H,6-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b5-4+/t16-,20-,21-,22+,26-/m1/s1
InChIKey PNNYOOSXZDIZBV-HWYUJMJYSA-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)CC/C=C/C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (E)-hex-4-enoyl-CoA(4−) (CHEBI:138404) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
(E)-hex-4-enoyl-CoA(4−) (CHEBI:138404) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(E)-hex-4-enoyl-CoA(4−) (CHEBI:138404) is conjugate base of (E)-hex-4-enoyl-CoA (CHEBI:139083)
Incoming (E)-hex-4-enoyl-CoA (CHEBI:139083) is conjugate acid of (E)-hex-4-enoyl-CoA(4−) (CHEBI:138404)
Synonyms Sources
(4E)-hexenoyl-CoA UniProt
trans-hex-4-enoyl-CoA(4−) ChEBI
Citation Waiting for Citations Type Source
11509667 PubMed citation SUBMITTER
Last Modified
16 November 2017