Chem
J-GLOBAL ID:200907065309660093   Nikkaji number:J1.498.102K

(2R)-N-[(1S,2S,3R)-1-[6-O-(N-Glycoloyl-α-neuraminosyl)-β-D-glucopyranosyloxymethyl]-2,3-dihydroxy-16-methylheptadecyl]-2-hydroxydocosanamide

(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-16-メチルヘプタデシル]-2-ヒドロキシドコサンアミド
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: C58H110N2O19
Molecular formula furigana: C58-H110-N2-O19
Molecular weight: 1139.513
InChI: InChI=1S/C58H110N2O19/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-34-43(64)55(73)59-41(49(68)42(63)33-30-27-24-21-19-18-20-23-26-29-32-40(2)3)38-76-56-53(72)52(71)51(70)46(78-56)39-77-58(57(74)75)35-44(65)48(60-47(67)37-62)54(79-58)50(69)45(66)36-61/h40-46,48-54,56,61-66,68-72H,4-39H2,1-3H3,(H,59,73)(H,60,67)(H,74,75)/t41-,42+,43+,44-,45+,46+,48+,49-,50+,51+,52-,53+,54+,56+,58+/m0/s1
InChI key: HKDJWHPHYZEMQK-LKUAQIBLSA-N
SMILES: CCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCC(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-16-メチルヘプタデシル]-2-ヒドロキシドコサンアミド
  • (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-ヒドロキシドコサンアミド]-17-メチルオクタデシル]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-[(2R)-2-hydroxydocosanamido]-17-methyloctadecyl]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-16-methylheptadecyl]-2-hydroxydocosanamide
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