Chem
J-GLOBAL ID:200907046832787710   Nikkaji number:J2.224.469H

5-[[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]amino]-5-oxopentanoic acid 2,3-bis(octadecanoyloxy)propyl ester

5-[[4-O-(β-D-ガラクトピラノシル)-β-D-グルコピラノシル]アミノ]-5-オキソペンタン酸2,3-ビス(オクタデカノイルオキシ)プロピル
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: C56H103NO17
Molecular formula furigana: C56-H103-N-O17
Molecular weight: 1062.430
InChI: InChI=1S/C56H103NO17/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-46(61)69-40-42(71-48(63)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-70-47(62)37-33-34-45(60)57-55-52(67)51(66)54(44(39-59)72-55)74-56-53(68)50(65)49(64)43(38-58)73-56/h42-44,49-56,58-59,64-68H,3-41H2,1-2H3,(H,57,60)/t42?,43-,44-,49+,50+,51-,52-,53-,54-,55-,56+/m1/s1
InChI key: MCNXOZRKDIRUHV-ZTIUFFBESA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC(=O)N[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)OC(=O)CCCCCCCCCCCCCCCCC
Systematic name  (3):
  • 5-[[4-O-(β-D-ガラクトピラノシル)-β-D-グルコピラノシル]アミノ]-5-オキソペンタン酸2,3-ビス(オクタデカノイルオキシ)プロピル
  • 1-[(4-{[(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]カルバモイル}ブタノイル)オキシ]-3-(オクタデカノイルオキシ)プロパン-2-イル オクタデカノアート
  • 1-[(4-{[(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]carbamoyl}butanoyl)oxy]-3-(octadecanoyloxy)propan-2-yl octadecanoate
Other name (1):
  • 5-[[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]amino]-5-oxopentanoic acid 2,3-bis(octadecanoyloxy)propyl ester
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