C17 Lactosylceramide (d18:1/17:0)
HIT212742579
sdf文件结构编辑类似物检索
HIT ID: HIT212742579
Cas No: 1354699-26-5
分子式: C47H89NO13
分子量: 876.223
常用名: C17 Lactosylceramide (d18:1/17:0)
常用名: C17 Lactosylceramide (d18:1/17:0)
氢键受体数 (HBA): 13
氢键供体数 (HBD): 9
LogP: 7.7682524
IUPAC: N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]heptadecanamide
IUPAC: N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]heptadecanamide
SMILES: CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC
SMILES: CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC
InChI key: RXEAEJDDQFAFLW-NMZPIEEZSA-N
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