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2-hydroxybenzoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1629

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₂₈H₃₆N₇O₁₈P₃S

charge

-4

mass

883.609103

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

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)c1ccccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

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
metacyc.compound:CPD-12112 metacycM:CPD-12112	salicyl-CoA 2-hydroxybenzoyl-CoA 2-hydroxybenzoyl-coenzyme A salicoyl-CoA salicoyl-coenzyme A salicyloyl-CoA
seed.compound:cpd29569 seedM:cpd29569	salicyloyl-CoA
keggC:M_C20394 seedM:M_cpd23245 seedM:M_cpd29569	secondary/obsolete/fantasy identifier