Compound
3-methyl-(2E)-glutaconyl-CoA
Pentaanion of trans-3-methylglutaconyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Definition from ChEBI (CHEBI:57346), read 2026-09-23. CC BY 4.0.
Structure
No three-dimensional record for this entry.
- Class
- Organic compound, anion
- Formula
- C27H37N7O19P3S
- Mass
- 888.612 g/mol
- Charge
- -5
- InChIKey
- GXKSHRDAHFLWPN-RKYLSHMCSA-I
- SMILES
- C/C(=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-])CC(=O)[O-]
- Look it up
- ChEBIBy InChIKey
Identity from ChEBI. Not evidence.
What it touches on the way
Mechanistic reach
3 entities
3 entities reached.
What the reference databases state
Statements
10 statements
10 statements · 2 reference databases · Subject: 3-methyl-(2E)-glutaconyl-CoA · Sources: Human-GEM, Rhea
- 3-methyl-(2E)-glutaconyl-CoA is converted to (3S)-3-hydroxy-3-methylglutaryl-CoACompoundRhea RHEA:21536Inferred only
- 3-methylbut-2-enoyl-CoA is converted to 3-methyl-(2E)-glutaconyl-CoACompoundRhea RHEA:13589Inferred only
- 3-methyl-(2E)-glutaconyl-CoA is converted to 3-methylbut-2-enoyl-CoACompoundRhea RHEA:13589Inferred only
- 3-methylbut-2-enoyl-CoA is converted to 3-methyl-(2E)-glutaconyl-CoACompoundHuman-GEM MAR03773Inferred only
- CHEBI:15467 is converted to 3-methyl-(2E)-glutaconyl-CoACompoundHuman-GEM MAR03775Inferred only
- 3-methyl-(2E)-glutaconyl-CoA is converted to CHEBI:15467CompoundHuman-GEM MAR03775Inferred only
- 3-methyl-(2E)-glutaconyl-CoA is a substrate of AUHProteinHuman-GEM MAR03775Inferred only
- 3-methyl-(2E)-glutaconyl-CoA is a substrate of AUHProteinRhea RHEA:21536Inferred only
- 3-methyl-(2E)-glutaconyl-CoA is a substrate of MCCC1ProteinRhea RHEA:13589Inferred only
- 3-methyl-(2E)-glutaconyl-CoA is a substrate of MCCC2ProteinRhea RHEA:13589Inferred only
Reactions
6 reactions
3-methylbut-2-enoyl-CoA+ATP+hydrogencarbonate3-methyl-(2E)-glutaconyl-CoA+ADP+proton+phosphate(3-)
Reaction pageLeft to rightBalancedEC 6.4.1.4mitochondrial matrix
Human-GEM MAR03773CC BY 4.0Reference data
3-methyl-(2E)-glutaconyl-CoA+waterCHEBI:15467
Catalysed by AUH
Reaction pageReversibleBalancedEC 4.2.1.18mitochondrial matrix
Human-GEM MAR03775CC BY 4.0Reference data
3-methyl-(2E)-glutaconyl-CoA+waterCHEBI:1146900+proton+MAM03245m
Reaction pageLeft to rightBalancedmitochondrial matrix
Human-GEM MAR11495CC BY 4.0Reference data
3-methylbut-2-enoyl-CoA+N(6)-carboxybiotinyl-L-lysyl-[protein]3-methyl-(2E)-glutaconyl-CoA+N(6)-biotinyl-L-lysyl-[protein]
Reaction pageDirection not assertedBalance undeterminable
Rhea RHEA:13025CC BY 4.0Reference data
3-methylbut-2-enoyl-CoA+hydrogencarbonate+ATP(4-)3-methyl-(2E)-glutaconyl-CoA+ADP(3-)+hydrogenphosphate+hydron
Reaction pageDirection not assertedBalanced
Rhea RHEA:13589CC BY 4.0Reference data
(3S)-3-hydroxy-3-methylglutaryl-CoA3-methyl-(2E)-glutaconyl-CoA+water
Catalysed by AUH
Reaction pageRight to leftBalanced
Rhea RHEA:21536CC BY 4.0Reference data
Other names
6 names
Resolves to: 3-methyl-(2E)-glutaconyl-CoA
- Also called
- (E)-3-methylglutaconyl-1-CoA(5-)(E)-3-methylglutaconyl-1-CoA(5−)trans-3-methylglutaconyl-CoAtrans-3-methylglutaconyl-coenzyme A(5-)trans-3-methylglutaconyl-coenzyme A(5−)
- Systematic name
- 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxylato-3-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}