Compound
itaconyl-CoA
Pentaanion of itaconyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Definition from ChEBI (CHEBI:57381), read 2026-09-23. CC BY 4.0.
Structure
No three-dimensional record for this entry.
- Class
- Organic compound, anion
- Formula
- C26H35N7O19P3S
- Mass
- 874.585 g/mol
- Charge
- -5
- InChIKey
- NFVGYLGSSJPRKW-CITAKDKDSA-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-])C(=O)[O-]
- Look it up
- ChEBIBy InChIKey
Identity from ChEBI. Not evidence.
What it touches on the way
Mechanistic reach
4 entities
4 entities reached.
0 reported hops4 assembled from the scaffold
What the reference databases state
Statements
16 statements
16 statements · 2 reference databases · Subject: itaconyl-CoA · Sources: Human-GEM, Rhea
- itaconyl-CoA is converted to (3S)-citramalyl-CoACompoundRhea RHEA:13785Inferred only
- itaconyl-CoA is converted to CHEBI:36882CompoundHuman-GEM MAR08664Inferred only
- itaconate is converted to itaconyl-CoACompoundRhea RHEA:86311Inferred only
- itaconyl-CoA is converted to itaconateCompoundRhea RHEA:86307Inferred only
- itaconyl-CoA is converted to itaconateCompoundRhea RHEA:86311Inferred only
- itaconate is converted to itaconyl-CoACompoundRhea RHEA:86307Inferred only
- itaconyl-CoA is a substrate of AUHProteinHuman-GEM MAR08664Inferred only
- itaconyl-CoA is a substrate of AUHProteinRhea RHEA:13785Inferred only
- itaconyl-CoA is a substrate of SUCLA2ProteinHuman-GEM MAR08663Inferred only
- itaconyl-CoA is a substrate of SUCLA2ProteinHuman-GEM MAR08662Inferred only
- itaconyl-CoA is a substrate of SUCLG1ProteinHuman-GEM MAR08662Inferred only
- itaconyl-CoA is a substrate of SUCLG1ProteinHuman-GEM MAR08663Inferred only
Show the remaining 4
- itaconyl-CoA is a substrate of SUCLG2ProteinHuman-GEM MAR08662Inferred only
- itaconyl-CoA is a substrate of SUCLG2ProteinHuman-GEM MAR08663Inferred only
- itaconyl-CoA is a substrate of SUGCTProteinRhea RHEA:81715Inferred only
- itaconyl-CoA is a substrate of SUGCTProteinRhea RHEA:38283Inferred only
Reactions
8 reactions
CHEBI:1146900+GTP+itaconateGDP+itaconyl-CoA+phosphate(3-)
Catalysed by SUCLG1 & SUCLG2 or SUCLG1 & SUCLA2
Reaction pageReversibleBalancedEC 6.2.1.5mitochondrial matrix
Human-GEM MAR08662CC BY 4.0Reference data
ADP+itaconyl-CoA+phosphate(3-)ATP+CHEBI:1146900+itaconate
Catalysed by SUCLG1 & SUCLG2 or SUCLG1 & SUCLA2
Reaction pageReversibleBalancedEC 6.2.1.5mitochondrial matrix
Human-GEM MAR08663CC BY 4.0Reference data
Catalysed by AUH
Reaction pageLeft to rightBalancedEC 4.2.1.56mitochondrial matrix
Human-GEM MAR08664CC BY 4.0Reference data
(3S)-citramalyl-CoAitaconyl-CoA+water
Catalysed by AUH
Reaction pageRight to leftBalanced
Rhea RHEA:13785CC BY 4.0Reference data
itaconate+succinyl-CoAitaconyl-CoA+succinate(2-)
Catalysed by SUGCT
Reaction pageReversibleBalanced
Rhea RHEA:38283CC BY 4.0Reference data
itaconate+glutaryl-CoAitaconyl-CoA+glutarate
Catalysed by SUGCT
Reaction pageReversibleBalanced
Rhea RHEA:81715CC BY 4.0Reference data
itaconate+GTP+coenzyme A(4-)itaconyl-CoA+GDP+hydrogenphosphate
Reaction pageDirection not assertedBalanced
Rhea RHEA:86307CC BY 4.0Reference data
itaconate+ATP(4-)+coenzyme A(4-)itaconyl-CoA+ADP(3-)+hydrogenphosphate
Reaction pageDirection not assertedBalanced
Rhea RHEA:86311CC BY 4.0Reference data
Other names
1 name
Resolves to: itaconyl-CoA
- Systematic name
- 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxybut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}