Compound

benzoyl-CoA

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

Definition from ChEBI (CHEBI:57369), read 2026-09-23. CC BY 4.0.

CHEBI:57369ChEBI

Open in the graph

Structure

2D depiction

No three-dimensional record for this entry.

Class: Organic compound, anion
Formula: C28H36N7O17P3S
Mass: 867.617 g/mol
Charge: -4
InChIKey: VEVJTUNLALKRNO-TYHXJLICSA-J
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
Look it up: ChEBI By InChIKey

Identity from ChEBI. Not evidence.

What it touches on the way

Mechanistic reach

1 entity

1 entities reached.

0 reported hops1 assembled from the scaffold

GLYATProteinUNIPROT:Q6IB77substrate ofInferred only15 paths15 endpoints

What the reference databases state

Statements

2 statements

2 statements · 1 reference database · Subject: benzoyl-CoA · Sources: Rhea

Order

benzoic acid is converted to benzoyl-CoACompoundRhea RHEA:10132Inferred only
benzoyl-CoA is a substrate of GLYATProteinRhea RHEA:18493Inferred only

Reactions

29 reactions

benzoic acid+ATP(4-)+coenzyme A(4-)benzoyl-CoA+AMP+diphosphate(3-)
Catalysed by ACSM1 or ACSM2A or ACSM2B
Reaction pageLeft to rightBalanced
Rhea RHEA:10132CC BY 4.0Reference data
CHEBI:36656+NAD(1-)+coenzyme A(4-)benzoyl-CoA+carbon dioxide+NADH(2-)
Reaction pageDirection not assertedBalanced
Rhea RHEA:10372CC BY 4.0Reference data
2benzoyl-CoA+L-ornithineCHEBI:57722+2coenzyme A(4-)+2hydron
Reaction pageDirection not assertedBalanced
Rhea RHEA:16929CC BY 4.0Reference data
benzoyl-CoA+glycineN-benzoylglycine+coenzyme A(4-)+hydron
Catalysed by GLYAT
Reaction pageDirection not assertedBalanced
Rhea RHEA:18493CC BY 4.0Reference data
CHEBI:32897+benzoyl-CoACHEBI:18193+coenzyme A(4-)
Reaction pageDirection not assertedBalanced
Rhea RHEA:18741CC BY 4.0Reference data
anthranilate+benzoyl-CoACHEBI:17331+coenzyme A(4-)
Reaction pageDirection not assertedBalanced
Rhea RHEA:21600CC BY 4.0Reference data
benzoyl-CoA+3malonyl-CoA+3hydronCHEBI:52069+4carbon dioxide+4coenzyme A(4-)
Reaction pageDirection not assertedBalanced
Rhea RHEA:22292CC BY 4.0Reference data
benzoyl-CoA+NADPH(4-)+dioxygen+hydronCHEBI:57342+NADP(3-)+water
Reaction pageDirection not assertedBalanced
Rhea RHEA:23216CC BY 4.0Reference data
oxidized 2[4Fe-4S]-[ferredoxin]+benzoyl-CoA+waterCHEBI:57356+reduced 2[4Fe-4S]-[ferredoxin]+2hydron
Reaction pageDirection not assertedBalance undeterminable
Rhea RHEA:29603CC BY 4.0Reference data
CHEBI:57374+oxidized 2[4Fe-4S]-[ferredoxin]+2ADP(3-)+2hydrogenphosphatereduced 2[4Fe-4S]-[ferredoxin]+benzoyl-CoA+2ATP(4-)+2water
Reaction pageDirection not assertedBalance undeterminable
Rhea RHEA:30199CC BY 4.0Reference data
benzyl alcohol+benzoyl-CoACHEBI:41237+coenzyme A(4-)
Reaction pageDirection not assertedBalanced
Rhea RHEA:30411CC BY 4.0Reference data
CHEBI:63863+benzoyl-CoACHEBI:45863+coenzyme A(4-)+hydron
Reaction pageDirection not assertedBalanced
Rhea RHEA:33687CC BY 4.0Reference data

Show the remaining 17

Other names

4 names

Resolves to: benzoyl-CoA

Also called: benzoyl-CoA tetraanionbenzoyl-coenzyme A(4-)benzoyl-coenzyme A(4−)
Systematic name: 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(benzoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)