In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029A6P |
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Common Name | PS(O-22:1(11Z)/14:1(9Z)) |
Systematic Name | 1-(11Z-docosenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-36:2); PS(O-22:1/14:1) |
Exact Mass | |
Formula | C42H80NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | XVLRPCQBDDTQAV-BPBGLGPSSA-N |
InChI | InChI=1S/C42H80NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-3 5-49-36-39(37-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-14-12- 10-8-6-4-2/h10,12,18-19,39-40H,3-9,11,13-17,20-38,43H2,1-2H3,(H,45,46)(H,47,48)/ b12-10-,19-18-/t39-,40+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCCCC/C=C\CCC CCCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |