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

ChEBI IDCHEBI:57356
ChEBI Name4-hydroxybenzoyl-CoA(4−)
Stars
ASCII Name4-hydroxybenzoyl-CoA(4-)
DefinitionTetraanion of 4-hydroxybenzoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified21 January 2016
DownloadsMolfile
FormulaC28H36N7O18P3S
Net Charge-4
Average Mass883.616
Monoisotopic Mass883.10723
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1
InChIInChI=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
InChIKeyLTVXPVBFJBTNIJ-TYHXJLICSA-J
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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}
UniProt Name  Source
4-hydroxybenzoyl-CoAUniProt