Chem
J-GLOBAL ID:200907070733734688   Nikkaji number:J1.077.001G

(4R)-1-O-(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)-N-[(R)-2-hydroxytetracosanoyl]-4-hydroxyheptadecasphinganine

(4R)-1-O-(4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシル)-N-[(R)-2-ヒドロキシテトラコサノイル]-4-ヒドロキシヘプタデカスフィンガニン
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: C53H103NO15
Molecular formula furigana: C53-H103-N-O15
Molecular weight: 994.399
InChI: InChI=1S/C53H103NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-41(58)51(65)54-39(44(59)40(57)34-32-30-28-26-24-14-12-10-8-6-4-2)38-66-52-49(64)47(62)50(43(37-56)68-52)69-53-48(63)46(61)45(60)42(36-55)67-53/h39-50,52-53,55-64H,3-38H2,1-2H3,(H,54,65)/t39-,40+,41+,42+,43+,44-,45-,46-,47+,48+,49+,50+,52+,53-/m0/s1
InChI key: MSUBAYUQWLVOEU-BOMWFGTMSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=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@H](O)CCCCCCCCCCCCC
Systematic name  (4):
  • [(2S,3S,4R)-2-[[(2R)-2-ヒドロキシ-1-オキソテトラコシル]アミノ]-3,4-ジヒドロキシヘプタデシル]4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシド
  • (4R)-1-O-(4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシル)-N-[(R)-2-ヒドロキシテトラコサノイル]-4-ヒドロキシヘプタデカスフィンガニン
  • (2R)-N-[(2S,3S,4R)-1-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,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}オキサン-2-イル]オキシ}-3,4-ジヒドロキシヘプタデカン-2-イル]-2-ヒドロキシテトラコサンアミド
  • (2R)-N-[(2S,3S,4R)-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}-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide
Other name (2):
  • [(2S,3S,4R)-2-[[(2R)-2-Hydroxy-1-oxotetracosyl]amino]-3,4-dihydroxyheptadecyl]4-O-β-D-galactopyranosyl-β-D-glucopyranoside
  • (4R)-1-O-(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)-N-[(R)-2-hydroxytetracosanoyl]-4-hydroxyheptadecasphinganine
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