In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AOP |
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Common Name | PS(O-18:1(11Z)/18:1(7Z)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(7Z-octadecenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-36:2); PS(O-18:1/18:1) |
Exact Mass | |
Formula | C42H80NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | YXBOSUBDLYOCGJ-YJLFSNGRSA-N |
InChI | InChI=1S/C42H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-36-39(3 7-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-22-20-18-16-14-12- 10-8-6-4-2/h13,15,22,24,39-40H,3-12,14,16-21,23,25-38,43H2,1-2H3,(H,45,46)(H,47, 48)/b15-13-,24-22-/t39-,40+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C\CCCCCCCCCC)=O)COCCCCCCCCCC/C=C \CCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |