In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AQP |
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Common Name | PS(O-18:1(9Z)/16:1(9Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-34:2); PS(O-18:1/16:1) |
Exact Mass | |
Formula | C40H76NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | PMELWILHSRVTFG-YXKRYONBSA-N |
InChI | InChI=1S/C40H76NO9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-47-34-37(3 5-48-51(45,46)49-36-38(41)40(43)44)50-39(42)32-30-28-26-24-22-20-16-14-12-10-8-6 -4-2/h14,16-18,37-38H,3-13,15,19-36,41H2,1-2H3,(H,43,44)(H,45,46)/b16-14-,18-17- /t37-,38+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCCCC/C=C\CCC CCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |