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CHEBI:137074 - β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH

ChEBI IDCHEBI:137074
ChEBI Nameβ-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH
Stars
ASCII Namebeta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH
DefinitionA β-D-galactoside that is the 4-[2-(4-sulfanylbutanamido)ethyl]phenyl glycoside of a disaccharide consisting of a 3-O-sulfo-β-D-glucuronic acid residue linked (1→3) to β-D-galactose.
Last Modified18 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H35NO16S2
Net Charge0
Average Mass657.669
Monoisotopic Mass657.13973
SMILESO=C(CCCS)NCCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]3O)[C@H]2O)cc1
InChIInChI=1S/C24H35NO16S2/c26-10-13-15(28)19(39-24-18(31)20(41-43(34,35)36)16(29)21(40-24)22(32)33)17(30)23(38-13)37-12-5-3-11(4-6-12)7-8-25-14(27)2-1-9-42/h3-6,13,15-21,23-24,26,28-31,42H,1-2,7-10H2,(H,25,27)(H,32,33)(H,34,35,36)/t13-,15+,16+,17-,18-,19+,20+,21+,23-,24-/m1/s1
InChIKeyZNHCPMPMRAEYKX-IBOKUWITSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH (CHEBI:137074) is a disaccharide derivative (CHEBI:63353)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH (CHEBI:137074) is a β-D-galactoside (CHEBI:28034)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH (CHEBI:137074) is conjugate acid of β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2−) (CHEBI:137075)
Incoming Relation(s)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2−) (CHEBI:137075) is conjugate base of β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH (CHEBI:137074)
IUPAC Name 
4-[2-(4-sulfanylbutanamido)ethyl]phenyl (3-O-sulfo-β-D-glucopyranosyluronic acid)-(1→3)-β-D-galactopyranoside
Synonyms  Source
4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-sulfo-β-D-glucuronosyl-(1→3)-β-D-galactosideChEBI
4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-sulfo-β-D-glucopyranuronosyl-(1→3)-β-D-galactopyranosideChEBI
4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-(3-O-sulfo-β-D-glucopyranuronosyl)-β-D-galactopyranosideIUPAC
Citations