In-Silico Structure database (LMISSD)
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LM ID | LMGP20059AAJ |
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Common Name | PI(10:0/13:3(5Z,8E,11E)(10OH,13Ke)) |
Systematic Name | 1-decanoyl-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(23:3(OH,Ke)); PI(10:0/13:3(OH,Ke)) |
Exact Mass | |
Formula | C32H53O15P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | AYDUSDXAMIMYEG-PFSMIWEASA-N |
InChI | InChI=1S/C32H53O15P/c1-2-3-4-5-6-10-13-18-25(35)44-21-24(46-26(36)19-14-11-8-7-9 -12-16-23(34)17-15-20-33)22-45-48(42,43)47-32-30(40)28(38)27(37)29(39)31(32)41/h 7-8,12,15-17,20,23-24,27-32,34,37-41H,2-6,9-11,13-14,18-19,21-22H2,1H3,(H,42,43) /b8-7-,16-12+,17-15+/t23?,24-,27?,28-,29?,30?,31?,32-/m1/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C( O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |