**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

benzoyl-CoA

Properties Image with InChI numbering Occurences in reactions MNX_ID MNXM1364069 #reac in my sandbox 0 in MNXref (generic) 74 in models (compartimentalized) 11 formula C28H36N7O17P3S charge -4 mass 867.617 reference chebi:57369 InChIKey VEVJTUNLALKRNO-TYHXJLICSA-J InChI InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,20-,21-,22+,26-/m1/s1 SMILES CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=CC=C1

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Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-159447 reactomeM:R-ALL-159447 CHEBI:57369 chebi:57369	benzoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(benzoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate) benzoyl-CoA tetraanion benzoyl-CoA(4-) benzoyl-coenzyme A(4-)
bigg.metabolite:bzcoa biggM:bzcoa	Benzoyl Coenzyme A
bigg.metabolite:benzcoa biggM:benzcoa	Benzoyl-CoA
hmdb:HMDB0002252	Benzoyl-CoA Benzoyl CoA Benzoyl coenzyme A Benzoyl-S-coenzyme A Benzoyl-coenzyme A Benzoyl-coenzyme A, 14C-labeled S-Benzoate coenzyme A S-Benzoic acid coenzyme A S-Benzoyl-coenzyme A benzoyl-coa {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(benzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
seed.compound:cpd00401 seedM:cpd00401	Benzoyl-CoA S-Benzoate coenzyme A S-benzoate coenzyme A benzoyl-CoA benzoyl-S-CoA
kegg.compound:C00512 keggC:C00512	Benzoyl-CoA S-Benzoyl-coenzyme A
sabiork.compound:2067 sabiorkM:2067	Benzoyl-CoA S-benzoate Coenzyme A
vmhM:bzcoa vmhM:bzcoa vmhmetabolite:bzcoa vmhmetabolite:bzcoa	Benzoyl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(benzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phos
CHEBI:15515 chebi:15515	benzoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(benzoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) Benzoyl-CoA S-Benzoate coenzyme A S-benzoyl-coenzyme A benzoyl coenzyme A benzoyl-S-coenzyme A benzoyl-coenzyme A
metacyc.compound:BENZOYLCOA metacycM:BENZOYLCOA	benzoyl-CoA S-benzoate coenzyme A benzoyl-S-CoA
hmdb:HMDB02252 chebi:13882 chebi:13883 chebi:22735 chebi:8952 biggM:M_benzcoa biggM:M_bzcoa keggC:M_C00512 seedM:M_cpd00401 vmhM:M_bzcoa	secondary/obsolete/fantasy identifier