In-Silico Structure database (LMISSD)
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LM ID | LMGP20059AAB |
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Common Name | PI(10:0/11:2(6E,8E)(5OH,10OH,11Ke)) |
Systematic Name | 1-decanoyl-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(21:2(OH2,Ke)); PI(10:0/11:2(OH2,Ke)) |
Exact Mass | |
Formula | C30H51O16P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | HCSFCWFJNMNIEB-OFHQWUATSA-N |
InChI | InChI=1S/C30H51O16P/c1-2-3-4-5-6-7-8-15-23(34)43-18-22(45-24(35)16-11-14-20(32)1 2-9-10-13-21(33)17-31)19-44-47(41,42)46-30-28(39)26(37)25(36)27(38)29(30)40/h9-1 0,12-13,17,20-22,25-30,32-33,36-40H,2-8,11,14-16,18-19H2,1H3,(H,41,42)/b12-9+,13 -10+/t20?,21?,22-,25?,26-,27?,28?,29?,30-/m1/s1 |
SMILES | [C@]([H])(OC(CCCC(O)/C=C/C=C/C(O)C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C 1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |