In-Silico Structure Database (LMISSD)

O H O O O NH 2 P HO O O H O OH
Common Name
PS(O-18:0/23:0)
Systematic Name
1-octadecyl-2-tricosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029ANH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
847.666622
Formula
C47H94NO9P
Predict MS/MS spectrum (Neg. Mode)
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]

String Representations

InChiKey (Click to copy)
YXNCHYFMTLQUJD-UVTBUIGASA-N
InChi (Click to copy)
InChI=1S/C47H94NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-46(49)57-44(42-55-58(52,53)56-43-45(48)47(50)51)41-54-40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h44-45H,3-43,48H2,1-2H3,(H,50,51)(H,52,53)/t44-,45+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCC)(=O)O

References

Other Databases