CHEBI:57356 - 4-hydroxybenzoyl-CoA(4−)

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ChEBI Name 4-hydroxybenzoyl-CoA(4−)
ChEBI ID CHEBI:57356
ChEBI ASCII Name 4-hydroxybenzoyl-CoA(4-)
Definition Tetraanion of 4-hydroxybenzoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000004096458
Download Molfile XML SDF
Formula C28H36N7O18P3S
Net Charge -4
Average Mass 883.60800
Monoisotopic Mass 883.10723
InChI InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1
InChIKey LTVXPVBFJBTNIJ-TYHXJLICSA-J
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-hydroxybenzoyl-CoA(4−) (CHEBI:57356) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4-hydroxybenzoyl-CoA(4−) (CHEBI:57356) is a acyl-CoA(4−) (CHEBI:58342)
4-hydroxybenzoyl-CoA(4−) (CHEBI:57356) is conjugate base of 4-hydroxybenzoyl-CoA (CHEBI:15500)
Incoming 4-hydroxybenzoyl-CoA (CHEBI:15500) is conjugate acid of 4-hydroxybenzoyl-CoA(4−) (CHEBI:57356)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym Source
4-hydroxybenzoyl-CoA UniProt
Last Modified
21 January 2016