In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/18:2(9Z,12Z))
Systematic Name
1-nonatriacontanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P6V
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1236.852116
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
SDUHKMAPDHZYAV-YWVJPJMASA-N
InChi (Click to copy)
InChI=1S/C66H126O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-59(67)78-56-58(80-60(68)55-53-51-49-47-45-43-40-18-16-14-12-10-8-6-4-2)57-79-84(76,77)82-66-63(71)61(69)62(70)65(64(66)72)81-83(73,74)75/h12,14,18,40,58,61-66,69-72H,3-11,13,15-17,19-39,41-57H2,1-2H3,(H,76,77)(H2,73,74,75)/b14-12-,40-18-/t58-,61-,62?,63?,64?,65?,66-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O