In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019F6G |
---|---|
Common Name | PIP[4'](16:1(7Z)/12:0) |
Systematic Name | 1-(7Z-hexadecenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-4-phosphate |
Synonyms | PIP[4'](28:1); PIP(12:0_16:1) |
Exact Mass | |
Formula | C37H70O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | LGJOPIQJTCKLQW-MEXVHLKTSA-N |
InChI | InChI=1S/C37H70O16P2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)49-27-29(51- 31(39)26-24-22-20-17-12-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)36(33(41)35( 37)43)52-54(44,45)46/h15-16,29,32-37,40-43H,3-14,17-28H2,1-2H3,(H,47,48)(H2,44,4 5,46)/b16-15-/t29-,32+,33?,34?,35?,36?,37-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O) COC(CCCCC/C=C\CCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |