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2-hydroxybenzoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1365368 #reac in my sandbox 0 in MNXref (generic) 12 in models (compartimentalized) 0 formula C28H36N7O18P3S charge -4 mass 883.606 reference chebi:67148 InChIKey YTKKDFTVSNSVEE-TYHXJLICSA-J InChI InChI=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 SMILES [CH3:1][C:28]([CH3:2])([CH2:12][O:50][P:56]([OH:47])(=[O:48])[O:53][P:55]([OH:45])(=[O:46])[O:49][CH2:11][C@@H:17]1[C@@H:21]([O:52][P:54]([OH:42])([OH:43])=[O:44])[C@@H:20]([OH:38])[C@H:26]([n:35]2[cH:14][n:34][c:19]3[c:23]([NH2:29])[n:32][cH:13][n:33][c:24]32)[O:51]1)[C@H:22]([C:25](=[N:31][CH2:8][CH2:7][C:18](=[N:30][CH2:9][CH2:10][S:57][C:27]([c:15]1[cH:5][cH:3][cH:4][cH:6][c:16]1[OH:36])=[O:41])[OH:37])[OH:40])[OH:39]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:67148 chebi:67148	2-hydroxybenzoyl-CoA 2-hydroxybenzoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} o-hydroxybenzoyl-CoA(4-) o-hydroxybenzoyl-coenzyme A(4-) salicoyl-CoA tetraanion salicoyl-CoA(4-) salicoyl-coenzyme A(4-)
kegg.compound:C20394 keggC:C20394	2-Hydroxybenzoyl-CoA Salicoyl-CoA
seed.compound:cpd23245 seedM:cpd23245	2-hydroxybenzoyl-CoA 2-Hydroxybenzoyl-CoA 2-hydroxybenzoyl-coenzyme A Salicoyl-CoA salicoyl-CoA salicoyl-coenzyme A salicyl-CoA salicyloyl-CoA
reactome:R-ALL-159557 reactomeM:R-ALL-159557 CHEBI:32587 chebi:32587	2-hydroxybenzoyl-CoA 2-hydroxybenzoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} o-hydroxybenzoyl-CoA o-hydroxybenzoyl-coenzyme A salicoyl-CoA salicoyl-coenzyme A
lipidmaps:LMFA07050367 lipidmapsM:LMFA07050367	Salicyl CoA CoA 7:4 O {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-hydroxyphenyl)carbonylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
hmdb:HMDB0011636	Salicyloyl-CoA (2-Hydroxybenzoyl)-CoA (2-Hydroxybenzoyl)-coenzyme A (O-Hydroxybenzoyl)-coenzyme A 2-Hydroxybenzoyl-CoA 2-Hydroxybenzoyl-coenzyme A 2-hydroxybenzoyl-coa O-Hydroxybenzoyl-CoA O-Hydroxybenzoyl-coenzyme A S-(2-Hydroxybenzoate S-(2-Hydroxybenzoate)CoA S-(2-Hydroxybenzoate)coenzyme A S-(2-Hydroxybenzoic acid S-Salicylate (8ci)CoA S-Salicylate (8ci)coenzyme A Salicoyl-CoA Salicoyl-coenzyme A Salicyl-CoA Salicyl-coenzyme A Salicyloyl-coenzyme A Thio-salicylic acid S-ester with coenzyme A {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(2-hydroxybenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
metacyc.compound:CPD-12112 metacycM:CPD-12112	salicyl-CoA 2-hydroxybenzoyl-CoA 2-hydroxybenzoyl-coenzyme A salicoyl-CoA salicoyl-coenzyme A salicyloyl-CoA
hmdb:HMDB11636 keggC:M_C20394 seedM:M_cpd23245	secondary/obsolete/fantasy identifier