78M
Summary
| Name: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE |
| Synonyms: | 7.8 MONOACYLGLYCEROL |
| Formula: | C18 H34 O4 |
| Formal charge: | 0 |
| Formula weight: | 314.46 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxypropyl (7Z)-pentadec-7-enoate |
| OpenEye OEToolkits | 1.7.6 | [(2S)-2,3-bis(oxidanyl)propyl] (Z)-pentadec-7-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCCCC\C=C/CCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.370 | CCCCCCCC=CCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCC=CCCCCCC(=O)OCC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | BJMLBVHMHXYQFS-JJEJIETFSA-N |
