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 ChemicalBook:CB6446138, eMolecules:481831, ZINC000000156709
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