In-Silico Structure database (LMISSD)
| |
LM ID | LMGP10029AOH |
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Common Name | PA(O-18:1(11Z)/17:2(9Z,12Z)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-35:3); PA(O-18:1/17:2) |
Exact Mass | |
Formula | C38H71O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | IQZNBPKZJJJPSJ-CWGGZYDZSA-N |
InChI | InChI=1S/C38H71O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-43-35-37(36 -44-46(40,41)42)45-38(39)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12-13,1 5-16,18,37H,3-9,11,14,17,19-36H2,1-2H3,(H2,40,41,42)/b12-10-,15-13-,18-16-/t37-/ m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COCCCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |