Name: 9(S)-HODE cholesteryl ester
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320820
Cas No:143442-54-0
常用名:9(S)-HODE cholesteryl ester
IUPAC:(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoate
IUPAC:(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoate
InChI key:ALWABJCAEDQEGO-CNCQKSCYSA-N

分子式:C45H76O3
分子量:665.1
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC[C@H](O)\C=C\C=C/CCCCC)[C@H](C)CCCC(C)C |t:9|
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC[C@H](O)\C=C\C=C/CCCCC)[C@H](C)CCCC(C)C |t:9|

9(S)-HODE cholesteryl ester was originally extracted from atherosclerotic lesions. It remains uncertain whether the oxidized fatty acid portion of the molecule results from enzymatic lipoxygenation or from random lipid peroxidation. 9(S)-HODE cholesteryl ester can be used as a standard for analysis of chiral HODE cholesteryl esters.

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