CHEBI:86160 - (2E)-pentenoyl-CoA(4−)

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ChEBI Name (2E)-pentenoyl-CoA(4−)
ChEBI ID CHEBI:86160
ChEBI ASCII Name (2E)-pentenoyl-CoA(4-)
Definition A 2,3-trans-enoyl CoA(4−) obtained by deprotonation of phosphate and diphosphate functions of (2E)-pentenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C26H38N7O17P3S
Net Charge -4
Average Mass 845.60500
Monoisotopic Mass 845.12797
InChI InChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b6-5+/t15-,19-,20-,21+,25-/m1/s1
InChIKey GJSFKOVNQYGUGN-JQVZGLFNSA-J
SMILES CC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (2E)-pentenoyl-CoA(4−) (CHEBI:86160) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E)-pentenoyl-CoA(4−) (CHEBI:86160) is a pent-2-enoyl-CoA(4−) (CHEBI:83324)
Synonyms Sources
(2E)-pent-2-enoyl-CoA(4−) ChEBI
(2E)-pent-2-enoyl-coenzyme A(4−) ChEBI
(2E)-pentenoyl-CoA UniProt
(2E)-pentenoyl-coenzyme A(4−) ChEBI
Last Modified
13 July 2015