In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](14:0/20:4(7E,10E,13E,16E))
Systematic Name
1-tetradecanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019K7L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
910.460866
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
UBTGTZGUVLWKAN-YGUWNTCSSA-N
InChi (Click to copy)
InChI=1S/C43H76O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h7,9,13,15,17-18,20,22,35,38-43,46-49H,3-6,8,10-12,14,16,19,21,23-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b9-7+,15-13+,18-17+,22-20+/t35-,38-,39?,40?,41?,42?,43-/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(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCC)=O