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CHEBI:137082 - 12-[(9Z)-octadecenoyloxy]octadecanoic acid
| Formula | C36H68O4 |
| Net Charge | 0 |
| Average Mass | 564.936 |
| Monoisotopic Mass | 564.51176 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O |
| InChI | InChI=1S/C36H68O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h13-14,34H,3-12,15-33H2,1-2H3,(H,37,38)/b14-13- |
| InChIKey | OCHJVQODRYVDAA-YPKPFQOOSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137082) has functional parent 12-hydroxyoctadecanoic acid (CHEBI:85208) |
| 12-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137082) has functional parent oleic acid (CHEBI:16196) |
| 12-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137082) is a fatty acid ester (CHEBI:35748) |
| 12-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137082) is a monocarboxylic acid (CHEBI:25384) |
| 12-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137082) is conjugate acid of 12-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136302) |
| Incoming Relation(s) |
| 12-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136302) is conjugate base of 12-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:137082) |
| IUPAC Name |
|---|
| 12-{[(9Z)-octadec-9-enoyl]oxy}octadecanoic acid |
| Synonyms | Source |
|---|---|
| oleoyl-12-hydroxystearate ester | ChEBI |
| 12-OAHSA | LIPID MAPS |
| FAHFA(18:1(9Z)/12-O-18:0) | LIPID MAPS |
| 12-(oleoyloxy)stearic acid | ChEBI |
| 12-(9Z-octadecenoyloxy)-octadecanoic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMFA07011064 | LIPID MAPS |
| Citations |
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