Chem
J-GLOBAL ID:200907022666638011   Nikkaji number:J1.498.096B

(2R)-N-[(1S,2S,3R)-1-[6-O-(N-Glycoloyl-α-neuraminosyl)-β-D-glucopyranosyloxymethyl]-2,3-dihydroxy-14-methylpentadecyl]-2-hydroxytricosanamide

(2R)-N-[(1S,2S,3R)-1-[6-O-(N-グリコロイル-α-ノイラミノシル)-β-D-グルコピラノシルオキシメチル]-2,3-ジヒドロキシ-14-メチルペンタデシル]-2-ヒドロキシトリコサンアミド
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: C57H108N2O19
Molecular formula furigana: C57-H108-N2-O19
Molecular weight: 1125.486
InChI: InChI=1S/C57H108N2O19/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-42(63)54(72)58-40(48(67)41(62)32-29-26-23-21-20-22-25-28-31-39(2)3)37-75-55-52(71)51(70)50(69)45(77-55)38-76-57(56(73)74)34-43(64)47(59-46(66)36-61)53(78-57)49(68)44(65)35-60/h39-45,47-53,55,60-65,67-71H,4-38H2,1-3H3,(H,58,72)(H,59,66)(H,73,74)/t40-,41+,42+,43-,44+,45+,47+,48-,49+,50+,51-,52+,53+,55+,57+/m0/s1
InChI key: YXBCMMQVAJGDMB-QJDZLDCNSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=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)CCCCCCCCCCC(C)C
Systematic name  (3):
  • (2R)-N-[(1S,2S,3R)-1-[6-O-(N-グリコロイル-α-ノイラミノシル)-β-D-グルコピラノシルオキシメチル]-2,3-ジヒドロキシ-14-メチルペンタデシル]-2-ヒドロキシトリコサンアミド
  • (2R,4S,5R,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4R)-3,4-ジヒドロキシ-2-[(2R)-2-ヒドロキシトリコサンアミド]-15-メチルヘキサデシル]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-[(2R)-2-hydroxytricosanamido]-15-methylhexadecyl]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):
  • (2R)-N-[(1S,2S,3R)-1-[6-O-(N-Glycoloyl-α-neuraminosyl)-β-D-glucopyranosyloxymethyl]-2,3-dihydroxy-14-methylpentadecyl]-2-hydroxytricosanamide
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