In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(9Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(9Z-hexadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AKV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
842.530918
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
YQMIDURCOQGCKH-ZFNJSAJNSA-N
InChi (Click to copy)
InChI=1S/C45H79O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46)56-38(36-54-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51/h7,9,13-16,19-20,22,24,38,40-45,47-51H,3-6,8,10-12,17-18,21,23,25-37H2,1-2H3,(H,52,53)/b9-7+,15-13+,16-14-,20-19+,24-22+/t38-,40?,41-,42?,43?,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/C=C\CCCCCC