In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AHV |
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Common Name | PI(13:0/18:2(2E,4E)) |
Systematic Name | 1-tridecanoyl-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(31:2); PI(13:0_18:2) |
Exact Mass | |
Formula | C40H73O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | ANSJBRDIIXYCIP-IBHUMUPDSA-N |
InChI | InChI=1S/C40H73O13P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(42)52-32(3 0-50-33(41)28-26-24-22-20-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(4 3)37(45)39(40)47/h23,25,27,29,32,35-40,43-47H,3-22,24,26,28,30-31H2,1-2H3,(H,48, 49)/b25-23+,29-27+/t32-,35?,36-,37?,38?,39?,40-/m1/s1 |
SMILES | [C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |