In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](36:0/20:4(7E,10E,13E,16E))
Systematic Name
1-hexatriacontanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019FDS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1378.737832
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
CVMSPQAGDMIEBK-AHJYXZGXSA-N
InChi (Click to copy)
InChI=1S/C65H122O22P4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-58(66)81-55-57(83-59(67)54-52-50-48-46-44-42-40-37-20-18-16-14-12-10-8-6-4-2)56-82-91(79,80)87-62-60(68)63(84-88(70,71)72)65(86-90(76,77)78)64(61(62)69)85-89(73,74)75/h8,10,14,16,20,37,42,44,57,60-65,68-69H,3-7,9,11-13,15,17-19,21-36,38-41,43,45-56H2,1-2H3,(H,79,80)(H2,70,71,72)(H2,73,74,75)(H2,76,77,78)/b10-8+,16-14+,37-20+,44-42+/t57-,60?,61?,62-,63+,64?,65?/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](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O