CHEBI:148687 - Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S
ChEBI ID CHEBI:148687
ChEBI ASCII Name Delta(4)-beta-D-GlcpA-(1->4)-D-GlcpNS6S
Definition An amino disaccharide consisting of α-L-threo-hex-4-enopyranuronic acid and 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranose joined in sequence by a (1→4) glycosidic bond.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C12H19NO17S2
Net Charge 0
Average Mass 513.390
Monoisotopic Mass 513.00944
InChI InChI=1S/C12H19NO17S2/c14-4-3(13-31(21,22)23)11(20)28-2(1-27-32(24,25)26)8(4)29-12-7(17)5(15)6(16)9(30-12)10(18)19/h2-5,7-8,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5+,7-,8-,11?,12-/m1/s1
InChIKey GIKSHIUQXWDSBN-YIQFZSAQSA-N
SMILES O1[C@@H]([C@@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@@H](NS(O)(=O)=O)C1O)COS(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a disaccharide derivative (CHEBI:63353)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a enol (CHEBI:33823)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a monocarboxylic acid (CHEBI:25384)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a oligosaccharide sulfate (CHEBI:37909)
Δ4-β-D-GlcpA-(1→4)-D-GlcpNS6S (CHEBI:148687) is a sulfamic acids (CHEBI:35719)
IUPAC Name
2-deoxy-4-O-α-L-threo-hex-4-enopyranuronosyl-6-O-sulfo-2-(sulfoamino)-D-glucopyranose
Synonyms Sources
(2R,3R,4R)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC
WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G29391VY GlyTouCan
G29391VY GlyGen
View more database links
Last Modified
18 May 2020