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CHEBI:62558 - (S)-3-hydroxylauroyl-CoA(4−)
| Formula | C33H54N7O18P3S |
| Net Charge | -4 |
| Average Mass | 961.815 |
| Monoisotopic Mass | 961.24808 |
| SMILES | CCCCCCCCC[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-] |
| InChI | InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t21-,22+,26+,27+,28-,32+/m0/s1 |
| InChIKey | IJFLXRCJWPKGKJ-LXIXEQKWSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948) |
| (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is a fatty acyl-CoA(4−) (CHEBI:77636) |
| (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is a medium-chain (3S)-hydroxy fatty acyl-CoA(4−) (CHEBI:191200) |
| (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546) |
| (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is conjugate base of (S)-3-hydroxylauroyl-CoA (CHEBI:27668) |
| Incoming Relation(s) |
| (S)-3-hydroxylauroyl-CoA (CHEBI:27668) is conjugate acid of (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| (S)-3-Hydroxydodecanoyl-CoA (4-) | SUBMITTER |
| (S)-3-hydroxydodecanoyl-CoA(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| (3S)-3-hydroxydodecanoyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD0-2107 | MetaCyc |