In-Silico Structure database (LMISSD)
| |
LM ID | LMGP10029AA3 |
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Common Name | PA(O-14:0/18:2(9Z,12Z)) |
Systematic Name | 1-tetradecyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-32:2); PA(O-14:0/18:2) |
Exact Mass | |
Formula | C35H67O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | QYBIZMCHWFKUIW-SSTSLOEUSA-N |
InChI | InChI=1S/C35H67O7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(36)42-34(33 -41-43(37,38)39)32-40-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,34H,3-1 0,12,14-16,19-33H2,1-2H3,(H2,37,38,39)/b13-11-,18-17-/t34-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |