In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029A8Y |
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Common Name | PS(O-22:1(9Z)/13:0) |
Systematic Name | 1-(9Z-docosenyl)-2-tridecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(O-35:1); PS(O-22:1/13:0) |
Exact Mass | |
Formula | C41H80NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | QZHZMNQOWVGEHP-RZPRPBTASA-N |
InChI | InChI=1S/C41H80NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-3 4-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-14-12-10- 8-6-4-2/h20-21,38-39H,3-19,22-37,42H2,1-2H3,(H,44,45)(H,46,47)/b21-20-/t38-,39+/ m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCC CCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |