In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](10:0/15:1(9Z))
Systematic Name
1-decanoyl-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AAH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
950.299632
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
ICFSZTMQUNKEMH-UEWUOBFBSA-N
InChi (Click to copy)
InChI=1S/C34H66O22P4/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(36)52-26(24-50-27(35)22-20-18-16-10-8-6-4-2)25-51-60(48,49)56-31-29(37)32(53-57(39,40)41)34(55-59(45,46)47)33(30(31)38)54-58(42,43)44/h11-12,26,29-34,37-38H,3-10,13-25H2,1-2H3,(H,48,49)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)/b12-11-/t26-,29?,30?,31-,32+,33?,34?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=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(CCCCCCCCC)=O