N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)-6-(5-{2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl}pentanamido)hexanamide, C6 Biotin Glucosylceramide (d18:1/6:0)
HIT218832906
sdf文件结构编辑类似物检索
HIT ID: HIT218832906
Cas No:
分子式: C40H70N4O10S
分子量: 799.08
常用名: N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)-6-(5-{2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl}pentanamido)hexanamide, C6 Biotin Glucosylceramide (d18:1/6:0)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)-6-(5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamido)hexanamide
SMILES: CCCCCCCCCC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
InChI key: YZUQQKUFBKCQOD-UHFFFAOYSA-N
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