CHEBI:137078 - Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH]

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH]
ChEBI ID CHEBI:137078
ChEBI ASCII Name Na2[beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH]
Definition An organic sodium salt that is the disodium salt of β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H33NNa2O16S2
Net Charge 0
Average Mass 701.629
Monoisotopic Mass 701.10361
InChI InChI=1S/C24H35NO16S2.2Na/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);;/q;2*+1/p-2/t13-,15+,16+,17-,18-,19+,20+,21+,23-,24-;;/m1../s1
InChIKey STYVSPZSVFABEU-CQYXHMOFSA-L
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.[Na+].[Na+]
ChEBI Ontology
Outgoing 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)
Na2[β-D-GlcA3S-(1→3)-β-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH] (CHEBI:137078) is a organic sodium salt (CHEBI:38700)
IUPAC Name
4-[2-(4-sulfanylbutanamido)ethyl]phenyl (disodium 3-O-sulfonato-β-D-glucopyranosyluronate)-(1→3)-β-D-galactopyranoside
Synonyms Sources
4-(2-(mercaptobutanamido)ethyl)phenyl (3-O-sulfo-β-D-glucopyranosyluronate)-(1→3)-β-D-galactopyranoside, disodium salt ChEBI
4-[2-(4-sulfanylbutanamido)ethyl]phenyl (disodium 3-O-sulfonato-β-D-glucosyluronate)-(1→3)-β-D-galactoside ChEBI
disodium 4-[2-(4-sulfanylbutanamido)ethyl]phenyl 3-O-(3-O-sulfonato-β-D-glucopyranosyluronate)-β-D-galactopyranoside IUPAC
Na2[β-D-GlcpA3S-(1→3)-β-D-Galp-OC6H4-4-[CH2]2NHC(O)[CH2]3SH] IUPAC
Citation Waiting for Citations Type Source
28416698 PubMed citation Europe PMC
Last Modified
19 May 2017