Compound

3-oxohexanoyl-CoA

The organophosphate oxoanion that is the tetraanion formed from 3-oxohexanoyl-CoA by loss of two protons from the 5'-diphospho linkage and two protons from the 3'-phospho group; major micropspecies at pH 7.3.

Definition from ChEBI (CHEBI:62418), read 2026-09-23. CC BY 4.0.

CHEBI:62418ChEBI

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Structure

2D depiction

No three-dimensional record for this entry.

Class: Organic compound, anion
Formula: C27H40N7O18P3S
Mass: 875.637 g/mol
Charge: -4
InChIKey: NFOYYXQAVVYWKV-HDRQGHTBSA-J
SMILES: CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
Look it up: ChEBI By InChIKey

Identity from ChEBI. Not evidence.

What it touches on the way

Mechanistic reach

6 entities

6 entities reached.

0 reported hops6 assembled from the scaffold

What the reference databases state

Statements

8 statements

8 statements · 2 reference databases · Subject: 3-oxohexanoyl-CoA · Sources: Human-GEM, Rhea

Order

3-oxohexanoyl-CoA is converted to butanoyl-CoACompoundRhea RHEA:31111Inferred only
3-oxohexanoyl-CoA is a substrate of ACAA1ProteinHuman-GEM MAR03101Inferred only
3-oxohexanoyl-CoA is a substrate of ACAA2ProteinHuman-GEM MAR03160Inferred only
3-oxohexanoyl-CoA is a substrate of HADHAProteinHuman-GEM MAR03160Inferred only
3-oxohexanoyl-CoA is a substrate of HADHBProteinHuman-GEM MAR03160Inferred only
3-oxohexanoyl-CoA is a substrate of HADHBProteinRhea RHEA:31111Inferred only
3-oxohexanoyl-CoA is a substrate of MYO5BProteinHuman-GEM MAR03101Inferred only
3-oxohexanoyl-CoA is a substrate of SCP2ProteinRhea RHEA:31111Inferred only

Reactions

7 reactions

MAM00182x+NAD(+)3-oxohexanoyl-CoA+proton+NADH(2-)
Catalysed by ACAA1 & HSD17B4 & EHHADH
Reaction pageLeft to rightBalancedEC 1.1.1.35, 1.1.1.211peroxisome
Human-GEM MAR03100CC BY 4.0Reference data
3-oxohexanoyl-CoA+CHEBI:1146900CHEBI:15351+butanoyl-CoA
Catalysed by ACAA1 & MYO5B
Reaction pageLeft to rightBalancedEC 2.3.1.16peroxisome
Human-GEM MAR03101CC BY 4.0Reference data
MAM00182m+NAD(+)3-oxohexanoyl-CoA+proton+NADH(2-)
Catalysed by HADHA & HADH & HSD17B10
Reaction pageLeft to rightBalancedEC 1.1.1.35, 1.1.1.211mitochondrial matrix
Human-GEM MAR03158CC BY 4.0Reference data
3-oxohexanoyl-CoA+CHEBI:1146900CHEBI:15351+butanoyl-CoA
Catalysed by HADHA & ACAA2 & HADHB
Reaction pageLeft to rightBalancedEC 2.3.1.16, 1.1.1.211mitochondrial matrix
Human-GEM MAR03160CC BY 4.0Reference data
butanoyl-CoA+acetyl-CoA3-oxohexanoyl-CoA+coenzyme A(4-)
Catalysed by SCP2 or HADHB
Reaction pageRight to leftBalanced
Rhea RHEA:31111CC BY 4.0Reference data
CHEBI:62075+NAD(1-)3-oxohexanoyl-CoA+NADH(2-)+hydron
Catalysed by HADHA
Reaction pageLeft to rightBalanced
Rhea RHEA:31143CC BY 4.0Reference data
CHEBI:74280+NAD(1-)3-oxohexanoyl-CoA+NADH(2-)+hydron
Reaction pageDirection not assertedBalanced
Rhea RHEA:45828CC BY 4.0Reference data

Other names

6 names

Resolves to: 3-oxohexanoyl-CoA

Also called: K-hexanoyl-CoAK-hexanoyl-CoA (4-)K-hexanoyl-CoA (4−)ketohexanoyl-CoA (4-)ketohexanoyl-CoA (4−)ketohexanoyl-coenzyme-A