Chem
J-GLOBAL ID:200907077162815442   Nikkaji number:J1.217.114E

[(2S,3S,4R)-2-(Octadecanoylamino)-3,4-dihydroxyheptadecyl]6-O-[N-(hydroxyacetyl)-α-neuraminosyl]-β-D-glucopyranoside

[(2S,3S,4R)-2-(オクタデカノイルアミノ)-3,4-ジヒドロキシヘプタデシル]6-O-[N-(ヒドロキシアセチル)-α-ノイラミノシル]-β-D-グルコピラノシド
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: C52H98N2O18
Molecular formula furigana: C52-H98-N2-O18
Molecular weight: 1039.352
InChI: InChI=1S/C52H98N2O18/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-41(60)53-36(44(62)37(57)29-27-25-23-21-19-14-12-10-8-6-4-2)34-69-50-48(66)47(65)46(64)40(71-50)35-70-52(51(67)68)31-38(58)43(54-42(61)33-56)49(72-52)45(63)39(59)32-55/h36-40,43-50,55-59,62-66H,3-35H2,1-2H3,(H,53,60)(H,54,61)(H,67,68)/t36-,37+,38-,39+,40+,43+,44-,45+,46+,47-,48+,49+,50+,52+/m0/s1
InChI key: CBZQZMXBGGCCFX-WUYZFVKXSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O2)[C@H](O)[C@H](O)CO)C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCC
Systematic name  (3):
  • [(2S,3S,4R)-2-(オクタデカノイルアミノ)-3,4-ジヒドロキシヘプタデシル]6-O-[N-(ヒドロキシアセチル)-α-ノイラミノシル]-β-D-グルコピラノシド
  • (2R,4S,5R,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4R)-3,4-ジヒドロキシ-2-オクタデカンアミドヘプタデシル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-4-ヒドロキシ-5-(2-ヒドロキシアセトアミド)-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボン酸
  • (2R,4S,5R,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4R)-3,4-dihydroxy-2-octadecanamidoheptadecyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1):
  • [(2S,3S,4R)-2-(Octadecanoylamino)-3,4-dihydroxyheptadecyl]6-O-[N-(hydroxyacetyl)-α-neuraminosyl]-β-D-glucopyranoside
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