In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/19:0)
Systematic Name
1-nonatriacontanoyl-2-nonadecanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P60
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1254.899066
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
KUVPYTCTRYNOPE-YNQKXNSHSA-N
InChi (Click to copy)
InChI=1S/C67H132O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-47-49-51-53-55-60(68)79-57-59(81-61(69)56-54-52-50-48-46-44-41-20-18-16-14-12-10-8-6-4-2)58-80-85(77,78)83-67-64(72)62(70)63(71)66(65(67)73)82-84(74,75)76/h59,62-67,70-73H,3-58H2,1-2H3,(H,77,78)(H2,74,75,76)/t59-,62-,63?,64?,65?,66?,67-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O