Chem
J-GLOBAL ID：200907092107601513
Nikkaji number：J1.809.586F
(4R)-1-O-[4-O-[3-O-[N-(Hydroxyacetyl)-8-O-methyl-α-neuraminosyl]-β-D-galactopyranosyl]-β-D-glucopyranosyl]-N-[(2R)-1-oxo-2-hydroxydocosyl]-4-hydroxy-C17-sphinganine
(4R)-1-O-[4-O-[3-O-[N-(ヒドロキシアセチル)-8-O-メチル-α-ノイラミノシル]-β-D-ガラクトピラノシル]-β-D-グルコピラノシル]-N-[(2R)-1-オキソ-2-ヒドロキシドコシル]-4-ヒドロキシ-C17-スフィンガニン
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： C63H118N2O24
Molecular formula furigana： C63-H118-N2-O24
Molecular weight： 1287.627
InChI：
InChI=1S/C63H118N2O24/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-24-26-28-30-32-34-43(71)59(80)64-41(50(74)42(70)33-31-29-27-25-23-15-13-11-9-7-5-2)40-84-60-54(78)53(77)56(47(38-68)86-60)87-61-55(79)58(52(76)46(37-67)85-61)89-63(62(81)82)35-44(72)49(65-48(73)39-69)57(88-63)51(75)45(36-66)83-3/h41-47,49-58,60-61,66-72,74-79H,4-40H2,1-3H3,(H,64,80)(H,65,73)(H,81,82)/t41-,42+,43+,44-,45+,46+,47+,49+,50-,51+,52-,53+,54+,55+,56+,57+,58-,60+,61-,63-/m0/s1
InChI key：
LPLMYCVXEMDLOC-CTUCDXPGSA-N
SMILES：
CCCCCCCCCCCCCCCCCCCC[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@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@@H](CO)OC)C(=O)O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCC
Systematic name (3)：
- (4R)-1-O-[4-O-[3-O-[N-(ヒドロキシアセチル)-8-O-メチル-α-ノイラミノシル]-β-D-ガラクトピラノシル]-β-D-グルコピラノシル]-N-[(2R)-1-オキソ-2-ヒドロキシドコシル]-4-ヒドロキシ-C17-スフィンガニン
- (2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3S,4R)-3,4-ジヒドロキシ-2-[(2R)-2-ヒドロキシドコサンアミド]ヘプタデシル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-6-[(1S,2R)-1,3-ジヒドロキシ-2-メトキシプロピル]-4-ヒドロキシ-5-(2-ヒドロキシアセトアミド)オキサン-2-カルボン酸
- (2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3S,4R)-3,4-dihydroxy-2-[(2R)-2-hydroxydocosanamido]heptadecyl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-[(1S,2R)-1,3-dihydroxy-2-methoxypropyl]-4-hydroxy-5-(2-hydroxyacetamido)oxane-2-carboxylic acid
- (4R)-1-O-[4-O-[3-O-[N-(Hydroxyacetyl)-8-O-methyl-α-neuraminosyl]-β-D-galactopyranosyl]-β-D-glucopyranosyl]-N-[(2R)-1-oxo-2-hydroxydocosyl]-4-hydroxy-C17-sphinganine
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