In-Silico Structure database (LMISSD)
| |
LM ID | LMGP10019ADB |
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Common Name | PA(11:0/18:2(9E,11E)) |
Systematic Name | 1-undecanoyl-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(29:2); PA(11:0_18:2) |
Exact Mass | |
Formula | C32H59O8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | Diacylglycerophosphates [GP1001] |
PubChem Compound ID (CID) | - |
InChIKey | WHHIKAFTNVDTEP-YCLUUHCOSA-N |
InChI | InChI=1S/C32H59O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-32(34)40-30(29 -39-41(35,36)37)28-38-31(33)26-24-22-20-12-10-8-6-4-2/h13-16,30H,3-12,17-29H2,1- 2H3,(H2,35,36,37)/b14-13+,16-15+/t30-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |