In-Silico Structure database (LMISSD)
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LM ID | LMGP10019C8E |
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Common Name | PA(20:4(5Z,8Z,11Z,13E)/12:0) |
Systematic Name | 1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-2-dodecanoyl-sn-glycero-3-phosphate |
Synonyms | PA(32:4); PA(12:0_20:4) |
Exact Mass | |
Formula | C35H61O8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | Diacylglycerophosphates [GP1001] |
PubChem Compound ID (CID) | - |
InChIKey | VPKJOGBVXSHZKU-HUFPSIFVSA-N |
InChI | InChI=1S/C35H61O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(36)41 -31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-21-12-10-8-6-4-2/h13-16,18-19,22-2 3,33H,3-12,17,20-21,24-32H2,1-2H3,(H2,38,39,40)/b14-13+,16-15-,19-18-,23-22-/t33 -/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |