In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AB0 |
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Common Name | PI(10:0/8:1(6E)(5Ke,8OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-keto-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(18:1(OH,Ke2)); PI(10:0/8:1(OH,Ke2)) |
Exact Mass | |
Formula | C27H45O16P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | HYANPLWNATZYQH-VRDRNYELSA-N |
InChI | InChI=1S/C27H45O16P/c1-2-3-4-5-6-7-8-11-20(31)40-15-18(42-21(32)12-9-10-17(28)13 -14-19(29)30)16-41-44(38,39)43-27-25(36)23(34)22(33)24(35)26(27)37/h13-14,18,22- 27,33-37H,2-12,15-16H2,1H3,(H,29,30)(H,38,39)/b14-13+/t18-,22?,23-,24?,25?,26?,2 7-/m1/s1 |
SMILES | [C@]([H])(OC(CCCC(=O)/C=C/C(=O)O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)C OC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |