In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019AE5 |
---|---|
Common Name | PIP[3'](12:0/16:1(7Z)) |
Systematic Name | 1-dodecanoyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3-phosphate |
Synonyms | PIP[3'](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 | QWMVBOWIZRXICC-KMZQFKBXSA-N |
InChI | InChI=1S/C37H70O16P2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-31(39)51-29(27-49- 30(38)25-23-21-19-17-12-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)33(41)36(35( 37)43)52-54(44,45)46/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(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C (O)C1O)COC(CCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |