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CHEBI:87337 - N4-{α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc}

Default Structure
ChEBI IDCHEBI:87337
ChEBI NameN4-{α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc}
Stars
ASCII NameN(4)-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc}
DefinitionA glucosaminoglycan consisting of L-asparagine having the heptasaccharide α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc attached at the N4-position
Last Modified5 August 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC50H84N4O38
Net Charge0
Average Mass1349.212
Monoisotopic Mass1348.47635
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[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](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C50H84N4O38/c1-11(60)52-22-29(68)39(17(7-58)82-43(22)54-21(62)3-13(51)44(78)79)89-45-23(53-12(2)61)30(69)40(18(8-59)86-45)90-50-38(77)42(92-49-36(75)33(72)26(65)16(6-57)85-49)28(67)20(88-50)10-81-47-37(76)41(91-48-35(74)32(71)25(64)15(5-56)84-48)27(66)19(87-47)9-80-46-34(73)31(70)24(63)14(4-55)83-46/h13-20,22-43,45-50,55-59,63-77H,3-10,51H2,1-2H3,(H,52,60)(H,53,61)(H,54,62)(H,78,79)/t13-,14+,15+,16+,17+,18+,19+,20+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43+,45-,46-,47-,48+,49+,50-/m0/s1
InChIKeyTYCJIEQLYQJRRV-JVAJVDMPSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N4-{α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc} (CHEBI:87337) has functional parent α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:71514)
N4-{α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc} (CHEBI:87337) is a N4-glycosyl-L-asparagine (CHEBI:21836)
N4-{α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc} (CHEBI:87337) is a glucosamine oligosaccharide (CHEBI:22485)
N4-{α-D-Manp-(1→3)-[α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc} (CHEBI:87337) is a glucosaminoglycan (CHEBI:49236)
IUPAC Name 
α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-N-L-β-aspartyl-2-deoxy-β-D-glucopyranosylamine
Synonyms  Source
N4-{α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc}ChEBI
(GlcNAc)2 (Man)5 (Asn)1ChEBI
Man5GlcNAc2-AsnChEBI
α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→3)-[α-D-mannosyl-(1→6)]-α-D-mannosyl-(1→6)]-β-D-mannosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucosyl-(1→4)-2-acetamido-N-L-β-aspartyl-2-deoxy-β-D-glucosylamineChEBI
Citations