In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/21:0)
Systematic Name
1-nonatriacontanoyl-2-heneicosanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P7H
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1282.930366
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
IKIVUBAGPXZEPU-IHHAMJNYSA-N
InChi (Click to copy)
InChI=1S/C69H136O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-47-49-51-53-55-57-62(70)81-59-61(60-82-87(79,80)85-69-66(74)64(72)65(73)68(67(69)75)84-86(76,77)78)83-63(71)58-56-54-52-50-48-46-44-41-22-20-18-16-14-12-10-8-6-4-2/h61,64-69,72-75H,3-60H2,1-2H3,(H,79,80)(H2,76,77,78)/t61-,64-,65?,66?,67?,68?,69-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O