In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AB0 |
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Common Name | PA(10:0/8:1(6E)(5Ke,8OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-keto-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(18:1(OH,Ke2)); PA(10:0/8:1(OH,Ke2)) |
Exact Mass | |
Formula | C21H35O11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | RFPPVQUVSIROFX-KAUXGEHWSA-N |
InChI | InChI=1S/C21H35O11P/c1-2-3-4-5-6-7-8-11-20(25)30-15-18(16-31-33(27,28)29)32-21(2 6)12-9-10-17(22)13-14-19(23)24/h13-14,18H,2-12,15-16H2,1H3,(H,23,24)(H2,27,28,29 )/b14-13+/t18-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |