In-Silico Structure database (LMISSD)
| |
LM ID | LMGP10029A6N |
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Common Name | PA(O-22:1(11Z)/13:0) |
Systematic Name | 1-(11Z-docosenyl)-2-tridecanoyl-sn-glycero-3-phosphate |
Synonyms | PA(O-35:1); PA(O-22:1/13:0) |
Exact Mass | |
Formula | C38H75O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | KNPCVRVEIZEQGB-OUJJLNDXSA-N |
InChI | InChI=1S/C38H75O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34 -43-35-37(36-44-46(40,41)42)45-38(39)33-31-29-27-25-14-12-10-8-6-4-2/h18-19,37H, 3-17,20-36H2,1-2H3,(H2,40,41,42)/b19-18-/t37-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |