Chemical Compound

Benzoyl-coa

CAS Registry Number 6756-74-7
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Benzoyl-coa chemical structure
Primary Record

Benzoyl-coa

In stock
9,543 g
Purity
99.2 %
CAS
6756-74-7

Compound Identifiers & Properties

CAS
6756-74-7
PubChem CID
9543169
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC=C4)O
Canonical SMILES
CC(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)c1ccccc1

Names & Synonyms

  • Benzoyl-coa
  • Benzoyl Coenzyme A
  • Benzoyl CoA
  • benzoyl-coenzyme A
  • S-Benzoate
  • S-Benzoic acid
  • benzoyl-S-CoA
  • benzoyl-S-coenzyme A
  • S-benzoyl-coenzyme A
  • Coenzyme A, S-benzoate
  • S-Benzoate coenzyme A
  • S-benzoyl-coenzyme-A
  • Coenzyme A, benzoyl-
  • RefChem:118786
  • S-Benzoic acid coenzyme A
  • CHEBI:15515
  • SCHEMBL284919
  • BENZOYL COENZYME A LITHIUM
  • VEVJTUNLALKRNO-TYHXJLICSA-N
  • C28H40N7O17P3S
  • Benzoyl Coenzyme A (sodium salt)
  • 94E93R5B3D
  • ZINC8551184
  • CID9543169
  • 6756-74-7
  • C28-H40-N7-O17-P3-S
  • Thio-benzoic acid S-Ester With Coenzyme A
  • C00512
  • Coenzyme A, S-benzoate, trilithium salt (9CI)
  • 102185-37-5
  • Q27458576
  • N0001-007566
  • 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(benzoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] benzenecarbothioate
  • (2r)-4-(((((2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl)oxy)-n-(2-((2-(benzoylsulfanyl)ethyl)-c-hydroxycarbonimidoyl)ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid
  • (2r)-4-[({[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-n-(2-{[2-(benzoylsulfanyl)ethyl]-c-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(benzoylsulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-N-(2-((2-(benzoylsulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)-2-hydroxy-3,3-dimethylbutanimidate
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-N-(2-((2-(benzoylsulphanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)-2-hydroxy-3,3-dimethylbutanimidate
  • 4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-N-(2-((2-(benzoylsulphanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-(2-{[2-(benzoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidate
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-(2-{[2-(benzoylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidate
  • 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-(2-{[2-(benzoylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid
  • BYC
  • S-(2-(3-(((2R)-4-((((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-2-hydroxy-3,3-dimethylbutanoyl)amino)propanoylamino)ethyl) benzenecarbothioate
  • S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) benzothioate
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] benzenecarbothioate
  • S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} benzenecarbothioate (non-preferred name)