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CHEBI:136996 - 9-[(9Z)-octadecenoyloxy]octadecanoic acid
| Formula | C36H68O4 |
| Net Charge | 0 |
| Average Mass | 564.936 |
| Monoisotopic Mass | 564.51176 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)O |
| InChI | InChI=1S/C36H68O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h14-15,34H,3-13,16-33H2,1-2H3,(H,37,38)/b15-14- |
| InChIKey | PGKKGBQMNNEIHV-PFONDFGASA-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) |
| 9-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:136996) has functional parent 9-hydroxyoctadecanoic acid (CHEBI:136638) |
| 9-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:136996) has functional parent oleic acid (CHEBI:16196) |
| 9-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:136996) is a fatty acid ester (CHEBI:35748) |
| 9-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:136996) is a monocarboxylic acid (CHEBI:25384) |
| 9-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:136996) is conjugate acid of 9-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136282) |
| Incoming Relation(s) |
| 9-[(9Z)-octadecenoyloxy]octadecanoate (CHEBI:136282) is conjugate base of 9-[(9Z)-octadecenoyloxy]octadecanoic acid (CHEBI:136996) |
| IUPAC Name |
|---|
| 9-{[(9Z)-octadec-9-enoyl]oxy}octadecanoic acid |
| Synonyms | Source |
|---|---|
| 9-(oleoyloxy)stearic acid | ChEBI |
| 9-OAHSA | LIPID MAPS |
| Oleic estolide | ChemIDplus |
| FAHFA(18:1(9Z)/9-O-18:0) | LIPID MAPS |
| 9-(9Z-octadecenoyloxy)-octadecanoic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMFA07011061 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8961764 | Reaxys |
| CAS:154086-90-5 | ChemIDplus |