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CHEBI:91145 - HepMer_dp04_0001

ChEBI IDCHEBI:91145
ChEBI NameHepMer_dp04_0001
Stars
DefinitionAn amino tetrasaccharide consisting of α-D-GlcNAc-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNAc-(1→4)-β-D-GlcA in which the hydrogen attached to the anomeric oxygen is replaced by a 4-nitrophenyl group.
Last Modified30 November 2017
Submitterricardblum
DownloadsMolfile
FormulaC34H47N3O25
Net Charge0
Average Mass897.746
Monoisotopic Mass897.24986
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C34H47N3O25/c1-9(40)35-15-18(43)17(42)13(7-38)56-31(15)59-26-21(46)23(48)34(62-28(26)30(51)52)58-24-14(8-39)57-32(16(19(24)44)36-10(2)41)60-25-20(45)22(47)33(61-27(25)29(49)50)55-12-5-3-11(4-6-12)37(53)54/h3-6,13-28,31-34,38-39,42-48H,7-8H2,1-2H3,(H,35,40)(H,36,41)(H,49,50)(H,51,52)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,31-,32-,33-,34-/m1/s1
InChIKeyZJMSAUYOZVVTAZ-VCBCDUGOSA-N
ChEBI Ontology
Outgoing Relation(s)
HepMer_dp04_0001 (CHEBI:91145) is a C-nitro compound (CHEBI:35716)
HepMer_dp04_0001 (CHEBI:91145) is a amino tetrasaccharide (CHEBI:59412)
HepMer_dp04_0001 (CHEBI:91145) is a carbohydrate acid derivative (CHEBI:63436)
HepMer_dp04_0001 (CHEBI:91145) is a glycoside (CHEBI:24400)
IUPAC Name 
4-nitrophenyl 2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-→-glucopyranuronosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-→-glucopyranosiduronic acid
Synonyms  Source
α-D-GlcpNAc-(1→4)-c-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA-O-pNPChEBI
GlcNAc-GlcUA-GlcNAc-GlcUA-pNPChEBI
heparin oligosaccharide dp4, N-acetylatedChEBI
4-nitrophenyl α-D-N-acetylglucosaminyl-(1→4)-→-glucuronosyl-(1→4)-α-D-N-acetylglucosaminyl-(1→4)-→-glucuronic acidChEBI
α-D-GlcNAc-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNAc-(1→4)-β-D-GlcA-O-pNPChEBI
Citations