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2-hydroxybenzoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1106912Image of MNXM1106912
#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 0
formulaC28H36N7O18P3S
charge-4
mass883.10723
referencechebi:67148
InChIKeyYTKKDFTVSNSVEE-TYHXJLICSA-J
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
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
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
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
metacyc.compound:CPD-12112
metacycM:CPD-12112 		salicyl-CoA
2-hydroxybenzoyl-CoA
2-hydroxybenzoyl-coenzyme A
salicoyl-CoA
salicoyl-coenzyme A
salicyloyl-CoA
keggC:M_C20394
seedM:M_cpd23245 		secondary/obsolete/fantasy identifier