Compound

3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA

An acyl-CoA(4−) that is the tetraanion of 3α,7α,12α-trihydroxy-24-oxo-5β-cholestan-26-oyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.

Definition from ChEBI (CHEBI:58507), read 2026-09-23. CC BY 4.0.

CHEBI:58507ChEBI

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Structure

2D depiction

No three-dimensional record for this entry.

Class: Organic compound, anion
Formula: C48H74N7O21P3S
Mass: 1210.137 g/mol
Charge: -4
InChIKey: AWLXQJGPNLCTLM-YFXOTMPNSA-J
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@]([H])(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)([O-])[O-])[C@]1([H])[C@H](O)C2
Look it up: ChEBI By InChIKey

Identity from ChEBI. Not evidence.

What it touches on the way

Mechanistic reach

5 entities

5 entities reached.

0 reported hops5 assembled from the scaffold

What the reference databases state

Statements

6 statements

6 statements · 2 reference databases · Subject: 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA · Sources: Human-GEM, Rhea

Order

3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA is a substrate of ACAA1ProteinHuman-GEM MAR01652Inferred only
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA is a substrate of EHHADHProteinHuman-GEM MAR03764Inferred only
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA is a substrate of HSD17B4ProteinHuman-GEM MAR03764Inferred only
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA is a substrate of MYO5BProteinHuman-GEM MAR01652Inferred only
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA is a substrate of SCP2ProteinHuman-GEM MAR01652Inferred only
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA is a substrate of SCP2ProteinRhea RHEA:16865Inferred only

Reactions

6 reactions

MAM00036x+NAD(+)3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA+proton+NADH(2-)
Catalysed by ACAA1 & HSD17B4 & EHHADH
Reaction pageLeft to rightBalancedEC 1.1.1.35, 1.1.1.211peroxisome
Human-GEM MAR01646CC BY 4.0Reference data
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA+CHEBI:1146900CHEBI:15519+propionyl-CoA
Catalysed by ACAA1 or SCP2 or MYO5B
Reaction pageLeft to rightBalancedEC 2.3.1.176, 2.3.1.16peroxisome
Human-GEM MAR01652CC BY 4.0Reference data
NAD(+)+MAM03367cproton+NADH(2-)+3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA
Reaction pageReversibleBalancedEC 1.1.1.35cytosol
Human-GEM MAR03758CC BY 4.0Reference data
NAD(+)+MAM03367x3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA+proton+NADH(2-)
Catalysed by EHHADH or HSD17B4
Reaction pageReversibleBalancedEC 1.1.1.35peroxisome
Human-GEM MAR03764CC BY 4.0Reference data
choloyl-CoA+propanoyl-CoA3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA+coenzyme A(4-)
Catalysed by SCP2
Reaction pageRight to leftBalanced
Rhea RHEA:16865CC BY 4.0Reference data
CHEBI:59807+NAD(1-)3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA+NADH(2-)+hydron
Catalysed by HSD17B4
Reaction pageLeft to rightBalanced
Rhea RHEA:47088CC BY 4.0Reference data

Other names

6 names

Resolves to: 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA

Also called: 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA tetraanion3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-coenzyme A(4-)3α,7α,12α-trihydroxy-24-oxo-5β-cholestan-26-oyl-CoA tetraanion3α,7α,12α-trihydroxy-24-oxo-5β-cholestan-26-oyl-coenzyme A(4−)
Systematic name: 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3α,7α,12α-trihydroxy-24-oxo-5β-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}