In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019AA4 |
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Common Name | PIP[3'](10:0/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-3- phosphate |
Synonyms | PIP[3'](28:3); PIP(10:0_18:3) |
Exact Mass | |
Formula | C37H66O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | WENCCBYHSDUVCR-FYVXWSQXSA-N |
InChI | InChI=1S/C37H66O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)51-29( 27-49-30(38)25-23-21-19-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)33(41)36(35( 37)43)52-54(44,45)46/h11-12,14-15,17-18,29,32-37,40-43H,3-10,13,16,19-28H2,1-2H3 ,(H,47,48)(H2,44,45,46)/b12-11-,15-14-,18-17-/t29-,32?,33?,34?,35?,36-,37+/m1/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O )O)C(O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |