O18
Summary
Name: | O-palmitoleoyl serine |
Synonyms: | (2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid |
Formula: | C19 H35 N O4 |
Formal charge: | 0 |
Formula weight: | 341.486 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[(~{Z})-hexadec-9-enoyl]oxy-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1 |
InChIKey | InChI | 1.06 | BEQLUQLZPXGDLC-QWPQOLDESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.385 | CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC=CCCCCCCCC(=O)OCC(C(=O)O)N |