In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AJW |
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Common Name | PS(O-16:1(9Z)/18:0) |
Systematic Name | 1-(9Z-hexadecenyl)-2-octadecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(O-34:1); PS(O-16:1/18:0) |
Exact Mass | |
Formula | C40H78NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | HEMUTWYGSDXNSU-ILIHRIDGSA-N |
InChI | InChI=1S/C40H78NO9P/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/h14,16,37-38H,3-13,15,17-36,41H2,1-2H3,(H,43,44)(H,45,46)/b16-14-/t37-,38+/ m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCC CC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |