Compound

2-methyl-3-oxobutanoyl-CoA

An acyl-CoA(4−) that is the tetraanion of 2-methylacetoacetyl-CoA, arising from deprotonation of phosphate and diphosphate functions.

Definition from ChEBI (CHEBI:57335), read 2026-09-23. CC BY 4.0.

CHEBI:57335ChEBI

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Structure

2D depiction

No three-dimensional record for this entry.

Class: Organic compound, anion
Formula: C26H38N7O18P3S
Mass: 861.61 g/mol
Charge: -4
InChIKey: NHNODHRSCRALBF-NQNBQJKNSA-J
SMILES: CC(=O)C(C)C(=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

6 statements

6 statements · 2 reference databases · Subject: 2-methyl-3-oxobutanoyl-CoA · Sources: Human-GEM, Rhea

Order

2-methyl-3-oxobutanoyl-CoA is a substrate of ACAA2ProteinHuman-GEM MAR03206Inferred only
2-methyl-3-oxobutanoyl-CoA is a substrate of ACAT1ProteinRhea RHEA:30719Inferred only
2-methyl-3-oxobutanoyl-CoA is a substrate of HADHProteinHuman-GEM MAR03823Inferred only
2-methyl-3-oxobutanoyl-CoA is a substrate of HADHAProteinHuman-GEM MAR03206Inferred only
2-methyl-3-oxobutanoyl-CoA is a substrate of HADHBProteinHuman-GEM MAR03206Inferred only
2-methyl-3-oxobutanoyl-CoA is a substrate of HSD17B10ProteinHuman-GEM MAR03823Inferred only

Reactions

4 reactions

2-methyl-3-oxobutanoyl-CoA+CHEBI:1146900CHEBI:15351+propionyl-CoA
Catalysed by HADHA & ACAA2 & HADHB
Reaction pageLeft to rightBalancedEC 2.3.1.16GO:0005759
Human-GEM MAR03206CC BY 4.0Reference data
MAM00171m+NAD(+)2-methyl-3-oxobutanoyl-CoA+proton+NADH(2-)
Catalysed by HSD17B10 or HADH
Reaction pageReversibleBalancedEC 1.1.1.178, 1.1.1.35GO:0005759
Human-GEM MAR03823CC BY 4.0Reference data
CHEBI:57312+NAD(1-)2-methyl-3-oxobutanoyl-CoA+NADH(2-)+hydron
Catalysed by HSD17B10
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:13281CC BY 4.0Reference data
propanoyl-CoA+acetyl-CoA2-methyl-3-oxobutanoyl-CoA+coenzyme A(4-)
Catalysed by ACAT1
Reaction pageReversibleBalance undeterminable
Rhea RHEA:30719CC BY 4.0Reference data

Other names

5 names

Resolves to: 2-methyl-3-oxobutanoyl-CoA

Also called: 2-methylacetoacetyl-CoA2-methylacetoacetyl-CoA tetraanion2-methylacetoacetyl-coenzyme A(4-)2-methylacetoacetyl-coenzyme A(4−)
Systematic name: 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}