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CHEBI:43782 - 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE

Default Structure
ChEBI IDCHEBI:43782
ChEBI Name4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H35NO17S
Net Charge0
Average Mass641.601
Monoisotopic Mass641.16257
SMILES[H]OC([H])([H])[C@]1([H])O[C@@]([H])(Oc2c([H])c([H])c([N+](=O)[O-])c([H])c2[H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(S[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]2([H])O[H])[C@@]1([H])O[H]
InChIInChI=1S/C24H35NO17S/c26-5-10-13(29)16(32)17(33)24(41-10)43-21-15(31)12(7-28)40-23(19(21)35)42-20-14(30)11(6-27)39-22(18(20)34)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11+,12-,13-,14+,15-,16+,17-,18+,19-,20+,21+,22-,23+,24+/m1/s1
InChIKeyVWNONHZCCMYIGR-UKHSOTCISA-N
ChEBI Ontology
Outgoing Relation(s)
4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE (CHEBI:43782) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-nitrophenyl beta-D-glucopyranosyl-(1->3)-3-thio-beta-D-glucopyranosyl-(1->3)hexopyranosidePDBeChem
4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDEPDBeChem
Manual XrefsDatabases
LAMPDBeChem