In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049ET4 |
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Common Name | PS(O-16:1(9Z)/4:1(3E)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-3E-butenoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(O-20:2); PS(O-16:1/4:1) |
Exact Mass | |
Formula | C26H48NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | ISDOSVSJBQBHGF-KCVNTPOGSA-N |
InChI | InChI=1S/C26H48NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-33-20-23(36-25(28) 18-4-2)21-34-37(31,32)35-22-24(27)26(29)30/h4,9-10,23-24H,2-3,5-8,11-22,27H2,1H3 ,(H,29,30)(H,31,32)/b10-9-/t23-,24+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC=C)=O)COCCCCCCCC/C=C\CCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |