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CHEBI:84779 - β-D-GlcpNAc-(1→4)-α-D-Glcp2Ac6SOPr(1−)

ChEBI IDCHEBI:84779
ChEBI Nameβ-D-GlcpNAc-(1→4)-α-D-Glcp2Ac6SOPr(1−)
Stars
ASCII Namebeta-D-GlcpNAc-(1->4)-alpha-D-Glcp2Ac6SOPr(1-)
DefinitionThe organosulfate oxoanion formed by deprotonation of the sulfo group in β-D-GlcpNAc-(1→4)-α-D-Glcp2Ac6SOPr.
Last Modified12 February 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H32NO15S
Net Charge-1
Average Mass546.524
Monoisotopic Mass546.14981
SMILESCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1OC(C)=O
InChIInChI=1S/C19H33NO15S/c1-4-5-30-19-17(32-9(3)23)15(26)16(11(34-19)7-31-36(27,28)29)35-18-12(20-8(2)22)14(25)13(24)10(6-21)33-18/h10-19,21,24-26H,4-7H2,1-3H3,(H,20,22)(H,27,28,29)/p-1/t10-,11-,12-,13-,14-,15+,16-,17-,18+,19-/m1/s1
InChIKeyYZPLYVIZSYBURG-OTISWKMQSA-M
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→4)-α-D-Glcp2Ac6SOPr(1−) (CHEBI:84779) is a organosulfate oxoanion (CHEBI:58958)
β-D-GlcpNAc-(1→4)-α-D-Glcp2Ac6SOPr(1−) (CHEBI:84779) is conjugate base of β-D-GlcpNAc-(1→4)-α-D-Glcp2Ac6SOPr (CHEBI:84778)
Incoming Relation(s)
β-D-GlcpNAc-(1→4)-α-D-Glcp2Ac6SOPr (CHEBI:84778) is conjugate acid of β-D-GlcpNAc-(1→4)-α-D-Glcp2Ac6SOPr(1−) (CHEBI:84779)
IUPAC Names 
propyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-O-acetyl-6-O-sulfonato-α-D-glucopyranoside
propyl 4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-O-acetyl-6-O-sulfonato-α-D-glucopyranoside
Synonyms  Source
propyl 2-acetamido-2-deoxy-β-D-glucosyl-(1→4)-2-O-acetyl-6-O-sulfonato-α-D-glucosideChEBI
propyl 4-O-(2-acetamido-2-deoxy-β-D-glucosyl)-2-O-acetyl-6-O-sulfonato-α-D-glucosideChEBI
Citations