In-Silico Structure Database (LMISSD)

O HO P O O O H O O HO H OH O P O HO O
Common Name
PGP(22:5(7Z,10Z,13Z,16Z,19Z)/25:0)
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-pentacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019DZH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1002.632621
Formula
C53H96O13P2
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]

String Representations

InChiKey (Click to copy)
OIIQWKIEHCUBCZ-FUCSBQJXSA-N
InChi (Click to copy)
InChI=1S/C53H96O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-39-41-43-45-53(56)66-51(49-65-68(60,61)64-47-50(54)46-63-67(57,58)59)48-62-52(55)44-42-40-38-36-34-32-30-28-26-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,26,28,32,34,50-51,54H,3-5,7,9-11,13,15-17,19,21-25,27,29-31,33,35-49H2,1-2H3,(H,60,61)(H2,57,58,59)/b8-6-,14-12-,20-18-,28-26-,34-32-/t50-,51+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(=O)O

References

Other Databases