Chem
J-GLOBAL ID:200907010214040846
Nikkaji number:J2.295.878J
1-O-(3′-O-α-D-Galactopyranosyl-β-lactosyl)-N-hexacosanoylsphingosine
1-O-(3′-O-α-D-ガラクトピラノシル-β-ラクトシル)-N-ヘキサコサノイルスフィンゴシン
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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:
C62 H117 NO18
Molecular formula furigana:
C62-H117-N-O18
Molecular weight:
1164.607
InChI:
InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1
InChI key:
JMENXJYBCQFIRK-KRJDXUSZSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
Systematic name (3):
1-O-(3′-O-α-D-ガラクトピラノシル-β-ラクトシル)-N-ヘキサコサノイルスフィンゴシン
N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(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}オキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3-ヒドロキシオクタデカ-4-エン-2-イル]ヘキサコサンアミド
N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
Other name (1):
1-O-(3′-O-α-D-Galactopyranosyl-β-lactosyl)-N-hexacosanoylsphingosine
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