alpha-D-GlcpNH2-(1->7)-alpha-LD-Hepp-(1->2)-[alpha-LD-Hepp-(1->6)]-alpha-LD-Hepp-(1->3)-[alpha-D-Glcp-(1->6)]-[beta-D-Glcp-(1->4)]-alpha-LD-Hepp-(1->5)-4,7-anhydro-Kdo (CHEBI:176525)

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CHEBI:176525 - α-D-GlcpNH₂-(1→7)-α-LD-Hepp-(1→2)-[α-LD-Hepp-(1→6)]-α-LD-Hepp-(1→3)-[α-D-Glcp-(1→6)]-[β-D-Glcp-(1→4)]-α-LD-Hepp-(1→5)-4,7-anhydro-Kdo

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ChEBI ID	CHEBI:176525
ChEBI Name	α-D-GlcpNH₂-(1→7)-α-LD-Hepp-(1→2)-[α-LD-Hepp-(1→6)]-α-LD-Hepp-(1→3)-[α-D-Glcp-(1→6)]-[β-D-Glcp-(1→4)]-α-LD-Hepp-(1→5)-4,7-anhydro-Kdo
Stars
ASCII Name	alpha-D-GlcpNH2-(1->7)-alpha-LD-Hepp-(1->2)-[alpha-LD-Hepp-(1->6)]-alpha-LD-Hepp-(1->3)-[alpha-D-Glcp-(1->6)]-[beta-D-Glcp-(1->4)]-alpha-LD-Hepp-(1->5)-4,7-anhydro-Kdo
Definition	A branched amino octasaccharide correspnding to the inner core and outer core moieties of the bacterial O-SP—core antigen of Vibrio cholerae O1, serotype Ogawa.
Last Modified	17 June 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C54H93NO45
Net Charge	0
Average Mass	1476.300
Monoisotopic Mass	1475.50196
SMILES	[H][C@]1([C@H](CO)O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H]3C[C@H](O)C(=O)O)O[C@]([H])([C@H](CO)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@]([H])([C@@H](O)CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C54H93NO45/c55-20-25(70)21(66)14(3-57)88-48(20)86-9-12(65)40-31(76)29(74)37(82)52(94-40)99-45-33(78)32(77)42(18(7-61)91-51-36(81)28(73)30(75)39(93-51)11(64)2-56)96-54(45)98-44-38(83)53(95-41-13(1-10(63)47(84)85)87-17(6-60)24(41)69)97-43(46(44)100-50-35(80)27(72)23(68)16(5-59)90-50)19(8-62)92-49-34(79)26(71)22(67)15(4-58)89-49/h10-46,48-54,56-83H,1-9,55H2,(H,84,85)/t10?,11-,12-,13+,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24?,25+,26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46+,48-,49+,50-,51-,52+,53-,54+/m0/s1
InChIKey	AOSAZCUTSIYMHK-DIELZFSNSA-N

Roles Classification

Biological Role:

antigen Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).

ChEBI Ontology

Outgoing Relation(s)
	α-D-GlcpNH₂-(1→7)-α-LD-Hepp-(1→2)-[α-LD-Hepp-(1→6)]-α-LD-Hepp-(1→3)-[α-D-Glcp-(1→6)]-[β-D-Glcp-(1→4)]-α-LD-Hepp-(1→5)-4,7-anhydro-Kdo (CHEBI:176525) has role antigen (CHEBI:59132)
	α-D-GlcpNH₂-(1→7)-α-LD-Hepp-(1→2)-[α-LD-Hepp-(1→6)]-α-LD-Hepp-(1→3)-[α-D-Glcp-(1→6)]-[β-D-Glcp-(1→4)]-α-LD-Hepp-(1→5)-4,7-anhydro-Kdo (CHEBI:176525) is a amino octasaccharide (CHEBI:71060)
	α-D-GlcpNH₂-(1→7)-α-LD-Hepp-(1→2)-[α-LD-Hepp-(1→6)]-α-LD-Hepp-(1→3)-[α-D-Glcp-(1→6)]-[β-D-Glcp-(1→4)]-α-LD-Hepp-(1→5)-4,7-anhydro-Kdo (CHEBI:176525) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
2-amino-2-deoxy-α-D-glucopyranosyl-(1→7)-L-glycero-α-D-manno-heptopyranosyl-(1→2)-[L-glycero-α-D-manno-heptopyranosyl-(1→6)]-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→6)]-[β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)-4,7-anhydro-3-deoxy-D-talo-octonic acid

Synonyms	Source
α-D-GlcNH₂-(1→7)-α-LD-Hep-(1→2)-[α-LD-Hep-(1→6)]-α-LD-Hep-(1→3)-[α-D-Glc-(1→6)]-[β-D-Glc-(1→4)]-α-LD-Hep-(1→5)-4,7-anhydro-Kdo	ChEBI
α-D-GlcpNH₂-(1→7)-L-α-D-Hepp-(1→2)-[L-α-D-Hepp-(1→6)]-L-α-D-Hepp-(1→3)-[α-D-Glcp-(1→6)]-[β-D-Glcp-(1→4)]-L-α-D-Hepp-(1→5)-4,7-anhydro-Kdo	ChEBI
α-D-glucosaminyl-(1→7)-L-glycero-α-D-manno-heptosyl-(1→2)-[L-glycero-α-D-manno-heptosyl-(1→6)]-L-glycero-α-D-manno-heptosyl-(1→3)-[α-D-glucosyl-(1→6)]-[β-D-glucosyl-(1→4)]-L-glycero-α-D-manno-heptosyl-(1→5)-4,7-anhydro-3-deoxy-D-talo-octonic acid	ChEBI

Citations