In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AKD |
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Common Name | PA(O-16:1(9Z)/18:3(9Z,12Z,15Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-34:4); PA(O-16:1/18:3) |
Exact Mass | |
Formula | C37H67O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | DBJJQMIHSCCJBV-QBPRTEQRSA-N |
InChI | InChI=1S/C37H67O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35 -43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14, 16-17,19,36H,3-4,6,8-10,12,15,18,20-35H2,1-2H3,(H2,39,40,41)/b7-5-,13-11-,16-14- ,19-17-/t36-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |