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Preferred Name

beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2-)
Synonyms

4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-sulfonato-beta-D-glucosyluronate-(1->3)-beta-D-galactoside

4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-sulfonato-beta-D-glucopyranosyluronate-(1->3)-beta-D-galactopyranoside

beta-D-GlcpA3S-(1->3)-beta-D-Galp-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2-)

4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-(3-O-sulfonato-beta-D-glucopyranosyluronate)-beta-D-galactopyranoside
Definitions

The carbohydrate acid derivative anion formed from beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH by loss of two protons, one from each of its sulfo and carboxy groups.
ID

http://purl.obolibrary.org/obo/CHEBI_137075
charge

-2
database_cross_reference

PMID:28416698
definition

The carbohydrate acid derivative anion formed from beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH by loss of two protons, one from each of its sulfo and carboxy groups.
formula

C24H33NO16S2
has_exact_synonym

4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-sulfonato-beta-D-glucopyranosyluronate-(1->3)-beta-D-galactopyranoside
has_obo_namespace

chebi_ontology
has_related_synonym

4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-sulfonato-beta-D-glucosyluronate-(1->3)-beta-D-galactoside

beta-D-GlcpA3S-(1->3)-beta-D-Galp-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2-)

4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-(3-O-sulfonato-beta-D-glucopyranosyluronate)-beta-D-galactopyranoside
id

CHEBI:137075
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

InChI=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
inchikey

ZNHCPMPMRAEYKX-IBOKUWITSA-L
is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_137074
label

beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2-)
mass

655.649
monoisotopicmass

655.12517
notation

CHEBI:137075
prefLabel

beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2-)
smiles

O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)CCNC(CCCS)=O
treeView

http://purl.obolibrary.org/obo/CHEBI_63551
subClassOf

http://purl.obolibrary.org/obo/CHEBI_63551
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