A1H2K
7.10 monoacylglycerol (S-form)
| Created: | 2024-01-19 |
| Last modified: | 2024-04-03 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 62 |
| Chiral Atom Count | 1 |
| Bond Count | 61 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 7.10 monoacylglycerol (S-form) |
| Synonyms | [(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate |
| Systematic Name (OpenEye OEToolkits) | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate |
| Formula | C20 H38 O4 |
| Molecular Weight | 342.513 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC=CCCCCCC(=O)OCC(CO)O |
| Canonical SMILES | CACTVS | 3.385 | CCCCCCCCC/C=C/CCCCCC(=O)OC[C@@H](O)CO |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC/C=C/CCCCCC(=O)OC[C@H](CO)O |
| InChI | InChI | 1.06 | InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | XTALOCBNHVPVKU-VYENPZKTSA-N |
