In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AA4 |
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Common Name | PA(O-14:0/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-tetradecyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-32:3); PA(O-14:0/18:3) |
Exact Mass | |
Formula | C35H65O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | RJDZIKQDBGWWKH-QLRWURGYSA-N |
InChI | InChI=1S/C35H65O7P/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/h11,13,17-18,20,22,3 4H,3-10,12,14-16,19,21,23-33H2,1-2H3,(H2,37,38,39)/b13-11-,18-17-,22-20-/t34-/m1 /s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |