beta-D-Glcp-(1->4)-[alpha-D-GlcpNAc-(1->2)-3-PEA-L-alpha-D-Hepp-(1->3)]-L-alpha-D-Hepp-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo (CHEBI:62293)

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CHEBI:62293 - β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo

ChEBI ID	CHEBI:62293
ChEBI Name	β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo
Stars
ASCII Name	beta-D-Glcp-(1->4)-[alpha-D-GlcpNAc-(1->2)-3-PEA-L-alpha-D-Hepp-(1->3)]-L-alpha-D-Hepp-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo
Definition	A branched hexasaccharide corresponding to the complete inner core of the lipopolysaccharide mutant 44/76^Mu-4 of Neisseria meningitidis.
Last Modified	13 June 2011
Submitter	Gareth Owen
Downloads	Molfile

Formula	C46H79N2O40P
Net Charge	0
Average Mass	1331.086
Monoisotopic Mass	1330.39467
SMILES	[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@H]3O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)OCCN)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChI	InChI=1S/C46H79N2O40P/c1-12(55)48-21-25(64)23(62)19(10-53)77-39(21)84-38-36(88-89(74,75)76-3-2-47)28(67)30(14(57)6-49)79-42(38)82-35-29(68)41(80-32(16(59)8-51)37(35)83-40-27(66)26(65)24(63)20(11-54)78-40)81-34-18(5-45(73,43(69)70)86-33(34)17(60)9-52)85-46(44(71)72)4-13(56)22(61)31(87-46)15(58)7-50/h13-42,49-54,56-68,73H,2-11,47H2,1H3,(H,48,55)(H,69,70)(H,71,72)(H,74,75)/t13-,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-,45-,46-/m1/s1
InChIKey	ZZVMAWLJAIJQGY-QZUVMWMMSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo (CHEBI:62293) is a amino hexasaccharide (CHEBI:61855)
	β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo (CHEBI:62293) is a oligosaccharide phosphate (CHEBI:16916)

IUPAC Name
2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1→2)-(5R)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→5)-[(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2→4)]-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosonic acid

IUPAC Name

2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1→2)-(5R)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→5)-[(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2→4)]-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosonic acid

Synonyms	Source
2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl-(1→2)-(5R)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→5)-[(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2→4)]-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosonic acid	IUPAC
β-D-Glc-(1→4)-[α-D-GlcNAc-(1→2)-3-PEA-L-α-D-Hep-(1→3)]-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo	ChEBI

Synonyms

Source

2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl-(1→2)-(5R)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→5)-[(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2→4)]-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosonic acid

IUPAC

β-D-Glc-(1→4)-[α-D-GlcNAc-(1→2)-3-PEA-L-α-D-Hep-(1→3)]-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo

ChEBI

Citations