Compound
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
An acyl-CoA(4−) that is the tetraanion of 3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Definition from ChEBI (CHEBI:63001), read 2026-09-23. CC BY 4.0.
Structure
No three-dimensional record for this entry.
- Class
- Organic compound, anion
- Formula
- C48H76N7O20P3S
- Mass
- 1196.154 g/mol
- Charge
- -4
- InChIKey
- MNYDLIUNNOCPHG-TUTZYBGQSA-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)CCCC(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
- ChEBIBy 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
What the reference databases state
Statements
1 statement
1 statement · 1 reference database · Subject: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA · Sources: Rhea
- 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA is a substrate of NUDT7ProteinRhea RHEA:50040Inferred only
Reactions
2 reactions
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA+water3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine+adenosine 3',5'-bisphosphate+2hydron
Catalysed by NUDT7
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:50040CC BY 4.0Reference data
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA+waterCHEBI:85674+coenzyme A(4-)+hydron
Catalysed by ACOT8
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:59936CC BY 4.0Reference data
Other names
11 names
Resolves to: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
- Also called
- 3,7,12-trihydroxycoprostanoyl-CoA(4-)3,7,12-trihydroxycoprostanoyl-CoA(4−)3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-)3alpha,7alpha,12alpha-trihydroxycoprostanoyl-CoA(4-)3α,7α,12α-trihydroxycoprostanoyl-CoA(4−)THCA-CoA(4-)THCA-CoA(4−)trihydroxycoprostanoyl-CoA(4-)trihydroxycoprostanoyl-CoA(4−)
- Systematic name
- 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-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-5β-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}