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CHEBI:91149 - HepMer_dp04_0003

ChEBI IDCHEBI:91149
ChEBI NameHepMer_dp04_0003
Stars
DefinitionAn amino tetrasaccharide comprising the sequence α-L-ΔHexA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-α-L-IdoA-(1→4)-α-D-GlcNS(6S).
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC24H38N2O35S5
Net Charge0
Average Mass1074.882
Monoisotopic Mass1073.98587
SMILESO=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O1
InChIInChI=1S/C24H38N2O35S5/c27-4-1-5(19(32)33)55-24(14(4)61-66(49,50)51)58-16-7(3-53-65(46,47)48)56-22(9(11(16)29)26-63(40,41)42)59-17-12(30)13(31)23(60-18(17)20(34)35)57-15-6(2-52-64(43,44)45)54-21(36)8(10(15)28)25-62(37,38)39/h1,4,6-18,21-31,36H,2-3H2,(H,32,33)(H,34,35)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t4-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18+,21-,22+,23+,24-/m0/s1
InChIKeyQTSOBXZFMHJWGX-UQSIALEXSA-N
ChEBI Ontology
Outgoing Relation(s)
HepMer_dp04_0003 (CHEBI:91149) is a amino tetrasaccharide (CHEBI:59412)
HepMer_dp04_0003 (CHEBI:91149) is a heparin tetrasaccharide (CHEBI:132213)
HepMer_dp04_0003 (CHEBI:91149) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose
Synonyms  Source
ΔHexUA(2S)-GlcNS(6S)-IdoUA-GlcNS(6S)ChEBI
heparin-derived tetrasaccharideChEBI
β-D-ΔHexA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-α-L-IdoA-(1→4)-α-D-GlcNS(6S)ChEBI
Citations