In-Silico Structure database (LMISSD)
| |
LM ID | LMGP10019AFM |
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Common Name | PA(12:0/18:2(9E,11E)) |
Systematic Name | 1-dodecanoyl-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(30:2); PA(12:0_18:2) |
Exact Mass | |
Formula | C33H61O8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | Diacylglycerophosphates [GP1001] |
PubChem Compound ID (CID) | - |
InChIKey | RGFFTJAHWMKCEO-DZJPICILSA-N |
InChI | InChI=1S/C33H61O8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(35)41-31(30 -40-42(36,37)38)29-39-32(34)27-25-23-21-19-12-10-8-6-4-2/h13-16,31H,3-12,17-30H2 ,1-2H3,(H2,36,37,38)/b14-13+,16-15+/t31-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |