In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019FLZ |
---|---|
Common Name | PIP[4'](10:0/17:1(9Z)) |
Systematic Name | 1-decanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol-4-phosphate |
Synonyms | PIP[4'](27:1); PIP(10:0_17:1) |
Exact Mass | |
Formula | C36H68O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | BDEALLFHTQCGPC-DEXPSFOBSA-N |
InChI | InChI=1S/C36H68O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-30(38)50-28(26- 48-29(37)24-22-20-18-10-8-6-4-2)27-49-54(46,47)52-36-33(41)31(39)35(32(40)34(36) 42)51-53(43,44)45/h13-14,28,31-36,39-42H,3-12,15-27H2,1-2H3,(H,46,47)(H2,43,44,4 5)/b14-13-/t28-,31+,32?,33?,34?,35?,36-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O) C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |