Chem
J-GLOBAL ID：201007061957519407   Nikkaji number：J2.819.558C

(4R)-1-O-β-D-Galactopyranosyl-N-[(2R)-1-oxo-2-hydroxydocosyl]-4-hydroxy C17-sphinganine

(4R)-1-O-β-D-ガラクトピラノシル-N-[(2R)-1-オキソ-2-ヒドロキシドコシル]-4-ヒドロキシC17-スフィンガニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C45H89NO10
Molecular formula furigana： C45-H89-N-O10
Molecular weight： 804.204
InChI： InChI=1S/C45H89NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-14-12-10-8-6-4-2/h36-43,45,47-53H,3-35H2,1-2H3,(H,46,54)/t36-,37+,38+,39+,40-,41-,42-,43+,45+/m0/s1
InChI key： YKXRYBDEVKVZKS-VRDDNUFASA-N
SMILES： CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCC
Systematic name  (3)：
  • (4R)-1-O-β-D-ガラクトピラノシル-N-[(2R)-1-オキソ-2-ヒドロキシドコシル]-4-ヒドロキシC17-スフィンガニン
  • (2R)-N-[(2S,3S,4R)-3,4-ジヒドロキシ-1-{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ヘプタデカン-2-イル]-2-ヒドロキシドコサンアミド
  • (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptadecan-2-yl]-2-hydroxydocosanamide
Other name (1)：
  • (4R)-1-O-β-D-Galactopyranosyl-N-[(2R)-1-oxo-2-hydroxydocosyl]-4-hydroxy C17-sphinganine
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