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CHEBI:74280 - (R)-3-hydroxyhexanoyl-CoA(4−)
| Formula | C27H42N7O18P3S |
| Net Charge | -4 |
| Average Mass | 877.653 |
| Monoisotopic Mass | 877.15418 |
| 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-] |
| InChI | InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16-,20-,21-,22+,26-/m1/s1 |
| InChIKey | VAAHKRMGOFIORX-RLVCGTLZSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:74280) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319) |
| (R)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:74280) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102) |
| (R)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:74280) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546) |
| (R)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:74280) is a short-chain (R)-3-hydroxy fatty acyl-CoA(4−) (CHEBI:138609) |
| (R)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:74280) is conjugate base of (R)-3-hydroxyhexanoyl-CoA (CHEBI:74474) |
| Incoming Relation(s) |
| (R)-3-hydroxyhexanoyl-CoA (CHEBI:74474) is conjugate acid of (R)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:74280) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyhexanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| (R)-3-hydroxyhexanoyl-CoA | SUBMITTER |
| (R)-3-hydroxyhexanoyl-coenzyme A(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| (3R)-hydroxyhexanoyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-14915 | MetaCyc |