In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059ABN |
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Common Name | PI(10:0/4:0) |
Systematic Name | 1-decanoyl-2-butyryl-sn-glycero-3-phosphoinositol |
Synonyms | PI(14:0); PI(10:0/4:0) |
Exact Mass | |
Formula | C23H43O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | QIICEOMWTOINMY-CTPBXSAOSA-N |
InChI | InChI=1S/C23H43O13P/c1-3-5-6-7-8-9-10-12-16(24)33-13-15(35-17(25)11-4-2)14-34-37 (31,32)36-23-21(29)19(27)18(26)20(28)22(23)30/h15,18-23,26-30H,3-14H2,1-2H3,(H,3 1,32)/t15-,18?,19-,20?,21?,22?,23-/m1/s1 |
SMILES | [C@]([H])(OC(CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |