In-Silico Structure database (LMISSD)
| |
LM ID | LMGP10029AQI |
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Common Name | PA(O-18:1(9Z)/13:0) |
Systematic Name | 1-(9Z-octadecenyl)-2-tridecanoyl-sn-glycero-3-phosphate |
Synonyms | PA(O-31:1); PA(O-18:1/13:0) |
Exact Mass | |
Formula | C34H67O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | WIOSXJOGBKLSTH-NTEJXHNLSA-N |
InChI | InChI=1S/C34H67O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-39-31-33(32 -40-42(36,37)38)41-34(35)29-27-25-23-21-14-12-10-8-6-4-2/h16-17,33H,3-15,18-32H2 ,1-2H3,(H2,36,37,38)/b17-16-/t33-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |