Universal:dd2coa
trans-dodec-2-enoyl-CoA(4-)
Default Component
dd2coa:-4
- trans-dodec-2-enoyl-CoA(4-)
- Charge: -4
- Formula: C33H52N7O17P3S
CHEBI:57330
- trans-dodec-2-enoyl-CoA(4-)
- Type: Small Molecule
- InChiKey: IRFYVBULXZMEDE-DEEZISNZSA-J
- View on ChEBI
Properties
- Molecular Mass||g/mol: 943.789[0], 944.0[1]
- SMILES: CCCCCCCCC/C=C/C(=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], CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][1]
- Names: (2E)-dodecenoyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}[0], (2E)-Dodecenoyl-CoA[1], (2E)-Dodec-2-enoyl-CoA[1], (2E)-dodec-2-enoyl-CoA[1], 2-trans-Dodecenoyl-CoA[1], 2-trans-dodecenoyl-CoA[1], trans-Dodec-2-enoyl-CoA[1], trans-dodec-2-enoyl-CoA[1]
Linkouts
- CHEBI: CHEBI:57330 [0]
- SEED Compound: cpd02060 [1]
- KEGG Compound: C03221 [1]
- MetaCyc Compound: CPD-7222 [1]
- MetaNetX Chemical: MNXM642 [1]
Alternative Component
dd2coa:0
- trans-dodec-2-enoyl-CoA
- Charge: 0
- Formula: C33H56N7O17P3S
CHEBI:15471
- trans-dodec-2-enoyl-CoA
- Type: Small Molecule
- InChiKey: IRFYVBULXZMEDE-DEEZISNZSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 947.822[0]
- SMILES: CCCCCCCCC/C=C/C(=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: 2-trans-Dodecenoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], (2E)-Dodecenoyl-CoA[0], (2E)-Dodec-2-enoyl-CoA[0]
Linkouts
- CHEBI: CHEBI:15471 [0]
- KEGG Compound: C03221 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |