In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AAE |
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Common Name | PA(10:0/12:1(10E)(9OH,12Ke)) |
Systematic Name | 1-decanoyl-2-(9-hydroxy-12-oxo-10E-dodecenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(22:1(OH,Ke)); PA(10:0/12:1(OH,Ke)) |
Exact Mass | |
Formula | C25H45O10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | KUXYYWDKBHUMOB-DRWVHALZSA-N |
InChI | InChI=1S/C25H45O10P/c1-2-3-4-5-6-9-12-17-24(28)33-20-23(21-34-36(30,31)32)35-25( 29)18-13-10-7-8-11-15-22(27)16-14-19-26/h14,16,19,22-23,27H,2-13,15,17-18,20-21H 2,1H3,(H2,30,31,32)/b16-14+/t22?,23-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |