In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AH1 |
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Common Name | PS(O-16:1(11Z)/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-34:4); PS(O-16:1/18:3) |
Exact Mass | |
Formula | C40H72NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | AOEUXLWQWSUBGQ-VNKLGHLDSA-N |
InChI | InChI=1S/C40H72NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(42)50-37(3 5-48-51(45,46)49-36-38(41)40(43)44)34-47-33-31-29-27-25-23-21-18-16-14-12-10-8-6 -4-2/h10-13,17,19,22,24,37-38H,3-9,14-16,18,20-21,23,25-36,41H2,1-2H3,(H,43,44)( H,45,46)/b12-10-,13-11-,19-17-,24-22-/t37-,38+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCC CC/C=C\CCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |