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

ChEBI IDCHEBI:65336
ChEBI Nameacetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4−)
Stars
ASCII Nameacetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4-)
DefinitionAn 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.
Last Modified27 July 2012
SubmitterAnne Morgat
DownloadsMolfile
FormulaC28H42N7O21P3S
Net Charge-4
Average Mass937.661
Monoisotopic Mass937.13893
SMILESCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)[C@@H]1O
InChIInChI=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
InChIKeyWOVNUYQNJCXFOM-FHTDTEFWSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA (CHEBI:65343) is conjugate acid of acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA(4−) (CHEBI:65336)
Synonym  Source
acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-coenzyme A(4−)ChEBI
UniProt Name  Source
acetyl 2'-(5''-phosphoribosyl)-3'-dephospho-CoAUniProt