Universal:3hhcoa
(S)-3-hydroxyhexanoyl-CoA(4-)
Default Component
3hhcoa:-4
- (S)-3-hydroxyhexanoyl-CoA(4-)
- Charge: -4
- Formula: C27H42N7O18P3S
CHEBI:62075
- (S)-3-hydroxyhexanoyl-CoA(4-)
- Type: Small Molecule
- InChiKey: VAAHKRMGOFIORX-IKTBLOROSA-J
- View on ChEBI
Properties
- Molecular Mass||g/mol: 877.645[0], 878.0[1]
- SMILES: CCC[C@H](O)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-][0], CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(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-][1]
- Names: 3-hydroxyhexanoyl-CoA(4-)[0], OH-hexanoyl-CoA(4-)[0], 3-OH-hexanoyl-CoA(4-)[0], (S)-3-hydroxyhexanoyl-coenzyme A(4-)[0], (3S)-hydroxyhexanoyl-CoA[0], (S)-Hydroxyhexanoyl-CoA[1], (S)-3-Hydroxyhexanoyl-CoA[1], (S)-3-hydroxyhexanoyl-CoA[1], 3-OH-hexanoyl-CoA[1], OH-hexanoyl-CoA[1]
Linkouts
- CHEBI: CHEBI:62075 [0]
- SEED Compound: cpd03122 [1]
- KEGG Compound: C05268 [1]
- MetaCyc Compound: OH-HEXANOYL-COA [1]
- MetaNetX Chemical: MNXM757 [1]
Alternative Component
3hhcoa:0
- (S)-3-hydroxyhexanoyl-CoA
- Charge: 0
- Formula: C27H46N7O18P3S
CHEBI:28276
- (S)-3-hydroxyhexanoyl-CoA
- Type: Small Molecule
- InChiKey: VAAHKRMGOFIORX-IKTBLOROSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 881.6778[0]
- SMILES: CCC[C@H](O)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[0]
- Names: (S)-Hydroxyhexanoyl-CoA[0], (S)-3-Hydroxyhexanoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], 3-hydroxyhexanoyl-coenzyme A[0], (S)-3-hydroxycaproyl-coenzyme A[0], (S)-3-hydroxycaproyl-CoA[0]
Linkouts
- CHEBI: CHEBI:28276 [0]
- KEGG Compound: C05268 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |