CHEBI:65336 - acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4−)
ChEBI ID CHEBI:65336
ChEBI ASCII Name acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4-)
Definition An acyl-CoA oxoanion that is the tetraanion formed from acetyl-2'-(5"-phosphoribosyl)-3'-dephospho-CoA by global deprotonation of the phosphate and diphosphate groups. Major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C28H42N7O21P3S
Net Charge -4
Average Mass 937.65400
Monoisotopic Mass 937.13893
InChI InChI=1S/C28H46N7O21P3S/c1-13(36)60-7-6-30-16(37)4-5-31-25(42)22(41)28(2,3)10-52-59(48,49)56-58(46,47)51-9-15-19(39)21(26(53-15)35-12-34-17-23(29)32-11-33-24(17)35)55-27-20(40)18(38)14(54-27)8-50-57(43,44)45/h11-12,14-15,18-22,26-27,38-41H,4-10H2,1-3H3,(H,30,37)(H,31,42)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-4/t14-,15-,18-,19-,20-,21-,22+,26-,27+/m1/s1
InChIKey WOVNUYQNJCXFOM-FHTDTEFWSA-J
SMILES 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]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)[C@@H]1O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4−) (CHEBI:65336) is a acyl-CoA oxoanion (CHEBI:58946)
acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4−) (CHEBI:65336) is conjugate base of acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA (CHEBI:65343)
Incoming acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA (CHEBI:65343) is conjugate acid of acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4−) (CHEBI:65336)
Synonyms Sources
acetyl 2'-(5''-phosphoribosyl)-3'-dephospho-CoA UniProt
acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-coenzyme A(4−) ChEBI
Last Modified
27 July 2012