CHEBI:83324 - pent-2-enoyl-CoA(4−)

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ChEBI Name pent-2-enoyl-CoA(4−) ChEBI ID CHEBI:83324 ChEBI ASCII Name pent-2-enoyl-CoA(4-) Definition A 2,3-dehydroacyl-CoA(4−) arising from deprotonation of phosphate and diphosphate functions of pent-2-enoyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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/t15-,19-,20-,21+,25-/m1/s1 InChIKey GJSFKOVNQYGUGN-ZMHDXICWSA-J SMILES CCC=CC(=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 pent-2-enoyl-CoA(4−) (CHEBI:83324) is a 2,3-dehydroacyl-CoA(4−) (CHEBI:60015) pent-2-enoyl-CoA(4−) (CHEBI:83324) is conjugate base of pent-2-enoyl-CoA (CHEBI:27962) Incoming (2E)-pentenoyl-CoA(4−) (CHEBI:86160) is a pent-2-enoyl-CoA(4−) (CHEBI:83324) pent-2-enoyl-CoA (CHEBI:27962) is conjugate acid of pent-2-enoyl-CoA(4−) (CHEBI:83324) Citation Type Source 7640268 PubMed citation SUBMITTER Last Modified 06 January 2015