benzoyl-CoA(4-) (BioCAD00000475128)

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Metabolite Card

Formula: C28H36N7O17P3S (867.1101)
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)c1ccccc1

Synonyms [en]

benzoyl-CoA; benzoyl-CoA tetraanion; benzoyl-CoA(4-); benzoyl-coenzyme A(4-); 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(benzoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate); benzoyl-S-CoA

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

benzoyl-CoA(4-). 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000475128). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

An acyl-CoA(4-) that is the tetraanion of benzoyl-CoA, arising from deprotonation of phosphate and diphosphate functions." []

Entity Information

DBLinks

Other DBLinks
  • PubChem: 45266596
  • ChEBI: ChEBI:57369
  • BioCyc: BENZOYLCOA
  • NCBI MeSH: benzoyl-coenzyme A
  • Wikipedia: Benzoyl-CoA

Class / Ontology

Metabolic Network
ID EC Number Name
Rhea:RHEA:10133 6.2.1.25 benzoate + ATP + CoA => benzoyl-CoA + AMP + diphosphate
Rhea:RHEA:10134 6.2.1.25 benzoyl-CoA + AMP + diphosphate => benzoate + ATP + CoA
Rhea:RHEA:10135 6.2.1.25 benzoate + ATP + CoA <=> benzoyl-CoA + AMP + diphosphate
Rhea:RHEA:10373 1.2.1.58 phenylglyoxylate + NAD+ + CoA => benzoyl-CoA + CO2 + NADH
Rhea:RHEA:10374 1.2.1.58 benzoyl-CoA + CO2 + NADH => phenylglyoxylate + NAD+ + CoA
Rhea:RHEA:10375 1.2.1.58 phenylglyoxylate + NAD+ + CoA <=> benzoyl-CoA + CO2 + NADH
Rhea:RHEA:16930 2.3.1.127 2 benzoyl-CoA + L-ornithine => N2,N5-dibenzoyl-L-ornithine + 2 CoA + 2 H+
Rhea:RHEA:16931 2.3.1.127 N2,N5-dibenzoyl-L-ornithine + 2 CoA + 2 H+ => 2 benzoyl-CoA + L-ornithine
Rhea:RHEA:16932 2.3.1.127 2 benzoyl-CoA + L-ornithine <=> N2,N5-dibenzoyl-L-ornithine + 2 CoA + 2 H+
Rhea:RHEA:18494 2.3.1.71 benzoyl-CoA + glycine => N-benzoylglycine + CoA + H+
Rhea:RHEA:18495 2.3.1.71 N-benzoylglycine + CoA + H+ => benzoyl-CoA + glycine
Rhea:RHEA:18496 2.3.1.71 benzoyl-CoA + glycine <=> N-benzoylglycine + CoA + H+
Rhea:RHEA:18742 2.3.1.166 10-deacetyl-2-debenzoylbaccatin III + benzoyl-CoA => 10-deacetylbaccatin III + CoA
Rhea:RHEA:18743 2.3.1.166 10-deacetylbaccatin III + CoA => 10-deacetyl-2-debenzoylbaccatin III + benzoyl-CoA
Rhea:RHEA:18744 2.3.1.166 10-deacetyl-2-debenzoylbaccatin III + benzoyl-CoA <=> 10-deacetylbaccatin III + CoA
Rhea:RHEA:21601 2.3.1.144 anthranilate + benzoyl-CoA => N-benzoylanthranilate + CoA
Rhea:RHEA:21602 2.3.1.144 N-benzoylanthranilate + CoA => anthranilate + benzoyl-CoA
Rhea:RHEA:21603 2.3.1.144 anthranilate + benzoyl-CoA <=> N-benzoylanthranilate + CoA
Rhea:RHEA:22293 2.3.1.177 benzoyl-CoA + 3 malonyl-CoA + 3 H+ => biphenyl-3,5-diol + 4 CO2 + 4 CoA
Rhea:RHEA:22294 2.3.1.177 biphenyl-3,5-diol + 4 CO2 + 4 CoA => benzoyl-CoA + 3 malonyl-CoA + 3 H+
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Organism Source

Taxonomy Source

Pathway Synthetic

pathway id name
BioCyc:META_PWY-5660 taxol biosynthesis
BioCyc:ARA_PWY-981 salicylate biosynthesis II
BioCyc:META_2AMINOBENZDEG-PWY anthranilate degradation III (anaerobic)
BioCyc:META_PWY-1361 benzoyl-CoA degradation I (aerobic)
BioCyc:META_PWY-7739 aucuparin biosynthesis
BioCyc:META_PWY-7402 benzoate fermentation (to acetate and cyclohexane carboxylate)
BioCyc:META_PWY-481 ethylbenzene degradation (anaerobic)
BioCyc:META_PWY-6801 volatile esters biosynthesis (during fruit ripening)
BioCyc:META_PWY-5843 cocaine biosynthesis
BioCyc:ARA_PWY-4203 volatile benzenoid biosynthesis I (ester formation)
BioCyc:ARA_PWY-6443 benzoate biosynthesis I (CoA-dependent, β-oxidative)
BioCyc:ARA_PWY-1187 glucosinolate biosynthesis from homomethionine
BioCyc:SCO_P321-PWY benzoyl-CoA degradation III (anaerobic)
BioCyc:SCO_PWY-81 toluene degradation to benzoyl-CoA (anaerobic)
BioCyc:SCO_PWY-1341 phenylacetate degradation II (anaerobic)
BioCyc:META_PWY-4203 volatile benzenoid biosynthesis I (ester formation)
BioCyc:META_PWY-6443 benzoate biosynthesis I (CoA-dependent, β-oxidative)
BioCyc:META_PWY-981 salicylate biosynthesis II
BioCyc:META_PWYQT-4471 glucosinolate biosynthesis from dihomomethionine
BioCyc:META_PWY-1187 glucosinolate biosynthesis from homomethionine
View All Pathways