In-Silico Structure Database (LMISSD)

Common Name
PS(P-22:1(11Z)/18:2(9Z,12Z))
Systematic Name
1-(1Z,11Z-docosenyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039AX5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
825.588372
Formula


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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]

String Representations

InChiKey (Click to copy)
WMNCSZZQONIPRR-YCTNPNHXSA-N
InChi (Click to copy)
InChI=1S/C46H84NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-53-40-43(41-54-57(51,52)55-42-44(47)46(49)50)56-45(48)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,24,37,39,43-44H,3-11,13,15-17,19,22-23,25-36,38,40-42,47H2,1-2H3,(H,49,50)(H,51,52)/b14-12-,21-20-,24-18-,39-37-/t43-,44+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC)(=O)O

References

Other Databases