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CHEBI:137075 - β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2−)

ChEBI IDCHEBI:137075
ChEBI Nameβ-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2−)
Stars
ASCII Namebeta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2-)
DefinitionThe carbohydrate acid derivative anion formed from β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH by loss of two protons, one from each of its sulfo and carboxy groups.
Last Modified18 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H33NO16S2
Net Charge-2
Average Mass655.653
Monoisotopic Mass655.12517
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)/p-2/t13-,15+,16+,17-,18-,19+,20+,21+,23-,24-/m1/s1
InChIKeyZNHCPMPMRAEYKX-IBOKUWITSA-L
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2−) (CHEBI:137075) is a carbohydrate acid derivative anion (CHEBI:63551)
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)
Incoming Relation(s)
Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH] (CHEBI:137078) has part β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2−) (CHEBI:137075)
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)
IUPAC Name 
4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-sulfonato-β-D-glucopyranosyluronate-(1→3)-β-D-galactopyranoside
Synonyms  Source
β-D-GlcpA3S-(1→3)-β-D-Galp-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2−)ChEBI
4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-sulfonato-β-D-glucosyluronate-(1→3)-β-D-galactosideChEBI
4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-(3-O-sulfonato-β-D-glucopyranosyluronate)-β-D-galactopyranosideIUPAC
Citations