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CHEBI:136726 - β-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2N3

ChEBI IDCHEBI:136726
ChEBI Nameβ-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2N3
Stars
ASCII Namebeta-D-GlcpA-(1->4)-beta-D-Glcp-(1->3)-beta-D-GlcpA-(1->4)-beta-D-GlcpOCH2CH2N3
DefinitionA β-D-glucoside that is the 2-azidoethyl glycoside of a tetrasaccharide (Streptococcus pneumoniae serotype 3 tetrasaccharide) consisting of two β-D-glucuronosyl-(1→4)-β-D-glucosyl disaccharide units linked (1→3).
Last Modified5 April 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H41N3O23
Net Charge0
Average Mass763.612
Monoisotopic Mass763.21308
SMILES[N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H41N3O23/c27-29-28-1-2-45-23-12(37)9(34)16(5(3-30)46-23)49-26-15(40)18(14(39)20(52-26)22(43)44)50-24-13(38)10(35)17(6(4-31)47-24)48-25-11(36)7(32)8(33)19(51-25)21(41)42/h5-20,23-26,30-40H,1-4H2,(H,41,42)(H,43,44)/t5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18+,19+,20+,23-,24+,25-,26-/m1/s1
InChIKeyQKENCXPXOXHSNR-GNNOKLTGSA-N
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2N3 (CHEBI:136726) has role antigen (CHEBI:59132)
β-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2N3 (CHEBI:136726) is a azide (CHEBI:22680)
β-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2N3 (CHEBI:136726) is a tetrasaccharide derivative (CHEBI:63567)
β-D-GlcpA-(1→4)-β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2N3 (CHEBI:136726) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-azidoethyl β-D-glucopyranuronosyl-(1→4)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranuronosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
β-D-GlcA-(1→4)-β-D-Glc-(1→3)-β-D-GlcA-(1→4)-β-D-GlcOCH2CH2N3ChEBI
2-azidoethyl β-D-glucuronosyl-(1→4)-β-D-glucosyl-(1→3)-β-D-glucuronosyl-(1→4)-β-D-glucosideChEBI
GlcA1-4Glc1-3GlcA1-4GlcOCH2CH2N3ChEBI
Citations