In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AA8 |
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Common Name | PI(10:0/19:0) |
Systematic Name | 1-decanoyl-2-nonadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(29:0); PI(10:0_19:0) |
Exact Mass | |
Formula | C38H73O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | TVWRMXCOLQFTAH-YKAIFLCESA-N |
InChI | InChI=1S/C38H73O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-32(40)50-3 0(28-48-31(39)26-24-22-20-10-8-6-4-2)29-49-52(46,47)51-38-36(44)34(42)33(41)35(4 3)37(38)45/h30,33-38,41-45H,3-29H2,1-2H3,(H,46,47)/t30-,33?,34-,35?,36?,37?,38-/ m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO C(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |