In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AQ5 |
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Common Name | PS(O-18:1(9Z)/18:2(9E,11E)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-36:3); PS(O-18:1/18:2) |
Exact Mass | |
Formula | C42H78NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | NSWUUCGHTPJPKU-UELRBYCXSA-N |
InChI | InChI=1S/C42H78NO9P/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/h14,16-20,39-40H,3-13,15,21-38,43H2,1-2H3,(H,45,46)(H,47,48)/b16-14+, 19-17-,20-18+/t39-,40+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)COCCCCCCCC/C=C \CCCCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |