In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](39:0/20:0)
Systematic Name
1-nonatriacontanoyl-2-eicosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019FKB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1428.847382
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
APTFMUZEAWVURI-ZSHJQPDESA-N
InChi (Click to copy)
InChI=1S/C68H136O22P4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-61(69)84-58-60(86-62(70)57-55-53-51-49-47-45-43-40-20-18-16-14-12-10-8-6-4-2)59-85-94(82,83)90-65-63(71)66(87-91(73,74)75)68(89-93(79,80)81)67(64(65)72)88-92(76,77)78/h60,63-68,71-72H,3-59H2,1-2H3,(H,82,83)(H2,73,74,75)(H2,76,77,78)(H2,79,80,81)/t60-,63?,64?,65-,66+,67?,68?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O