In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019B45 |
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Common Name | PIP[3'](18:2(9Z,12Z)/10:0) |
Systematic Name | 1-(9Z,12Z-octadecadienoyl)-2-decanoyl-sn-glycero-3-phosphoinositol-3-phosphate |
Synonyms | PIP[3'](28:2); PIP(10:0_18:2) |
Exact Mass | |
Formula | C37H68O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | CHZDKMOBTMUFJO-NMAWTREHSA-N |
InChI | InChI=1S/C37H68O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-30(38)49-27- 29(51-31(39)26-24-22-19-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)33(41)36(35( 37)43)52-54(44,45)46/h11-12,14-15,29,32-37,40-43H,3-10,13,16-28H2,1-2H3,(H,47,48 )(H2,44,45,46)/b12-11-,15-14-/t29-,32?,33?,34?,35?,36-,37+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)CO C(CCCCCCC/C=C\C/C=C\CCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |