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CHEBI:82651 - biotinylated α-gal

ChEBI IDCHEBI:82651
ChEBI Namebiotinylated α-gal
Stars
ASCII Namebiotinylated alpha-gal
DefinitionBiotin linked to the α-gal epitope through a 6-amino-N-(3-hydroxypropyl)hexanamide spacer.
Last Modified8 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H67N5O19S
Net Charge0
Average Mass942.048
Monoisotopic Mass941.41510
SMILES[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCOC3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@]1([H])NC(=O)N2
InChIInChI=1S/C39H67N5O19S/c1-18(48)42-27-30(53)34(62-38-33(56)35(29(52)21(15-46)60-38)63-37-32(55)31(54)28(51)20(14-45)59-37)22(16-47)61-36(27)58-13-7-12-41-24(49)9-3-2-6-11-40-25(50)10-5-4-8-23-26-19(17-64-23)43-39(57)44-26/h19-23,26-38,45-47,51-56H,2-17H2,1H3,(H,40,50)(H,41,49)(H,42,48)(H2,43,44,57)/t19-,20+,21+,22+,23-,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36?,37+,38-/m0/s1
InChIKeyZZSHUMJRIIAQJB-XNWSPWSJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
biotinylated α-gal (CHEBI:82651) has part α-D-Galp-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc-yl group (CHEBI:17785)
biotinylated α-gal (CHEBI:82651) is a biotins (CHEBI:51570)
IUPAC Name 
N-(3-{[α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranosyl]oxy}propyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanamide
Synonym  Source
biotinylated alpha-galChEBI
Citations