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CHEBI:73852 - (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−)
| Formula | C43H64N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1092.005 |
| Monoisotopic Mass | 1091.32633 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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-] |
| InChI | InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1 |
| InChIKey | VMAJWSSWCPBIJY-KPOVBLHLSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347) |
| (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139) |
| (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852) is conjugate base of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821) |
| Incoming Relation(s) |
| (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821) is conjugate acid of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z)-3-oxodocosa-7,10,13,16,19-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| 3-oxodocosatetraenoyl-CoA | SUBMITTER |
| (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-coenzyme A | ChEBI |
| UniProt Name | Source |
|---|---|
| (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA | UniProt |