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CHEBI:67148 - 2-hydroxybenzoyl-CoA(4−)

ChEBI IDCHEBI:67148
ChEBI Name2-hydroxybenzoyl-CoA(4−)
Stars
ASCII Name2-hydroxybenzoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of 2-hydroxybenzoyl-CoA, arising from deprotonation of phosphate and diphosphate functions; major species at pH 7.3.
Last Modified14 June 2013
SubmitterKAX
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)c1ccccc1O
InChIInChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)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
InChIKeyYTKKDFTVSNSVEE-TYHXJLICSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxybenzoyl-CoA(4−) (CHEBI:67148) is a acyl-CoA(4−) (CHEBI:58342)
2-hydroxybenzoyl-CoA(4−) (CHEBI:67148) is conjugate base of 2-hydroxybenzoyl-CoA (CHEBI:32587)
Incoming Relation(s)
2-hydroxybenzoyl-CoA (CHEBI:32587) is conjugate acid of 2-hydroxybenzoyl-CoA(4−) (CHEBI:67148)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
salicoyl-CoA(4−)SUBMITTER
salicoyl-coenzyme A(4−)ChEBI
o-hydroxybenzoyl-CoA(4−)ChEBI
o-hydroxybenzoyl-coenzyme A(4−)ChEBI
salicoyl-CoA tetraanionChEBI
UniProt Name  Source
2-hydroxybenzoyl-CoAUniProt