Chem
J-GLOBAL ID：200907009350152870
Nikkaji number：J1.217.110B
[(2S,3S,4R)-2-(Octadecanoylamino)-3,4-dihydroxy-14-methylpentadecyl]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-14-メチルペンタデシル]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 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
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
Molecular formula： C51H96N2O18
Molecular formula furigana： C51-H96-N2-O18
Molecular weight： 1025.325
InChI：
InChI=1S/C51H96N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-40(59)52-35(43(61)36(56)27-24-21-18-16-17-20-23-26-34(2)3)32-68-49-47(65)46(64)45(63)39(70-49)33-69-51(50(66)67)29-37(57)42(53-41(60)31-55)48(71-51)44(62)38(58)30-54/h34-39,42-49,54-58,61-65H,4-33H2,1-3H3,(H,52,59)(H,53,60)(H,66,67)/t35-,36+,37-,38+,39+,42+,43-,44+,45+,46-,47+,48+,49+,51+/m0/s1
InChI key：
JYAWAMGPQOQCQK-XKNOGXAESA-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)CCCCCCCCCC(C)C
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-14-メチルペンタデシル]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-14-メチル-2-オクタデカンアミドペンタデシル]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-14-methyl-2-octadecanamidopentadecyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- [(2S,3S,4R)-2-(Octadecanoylamino)-3,4-dihydroxy-14-methylpentadecyl]6-O-[N-(hydroxyacetyl)-α-neuraminosyl]-β-D-glucopyranoside
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