alpha-D-Manp-(1->3)-alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc (CHEBI:145612)

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CHEBI:145612 - α-D-Manp-(1→3)-α-D-Manp-(1→6)-[α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc

ChEBI ID	CHEBI:145612
ChEBI Name	α-D-Manp-(1→3)-α-D-Manp-(1→6)-[α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc
Stars
ASCII Name	alpha-D-Manp-(1->3)-alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc
Definition	A high-mannose oligosaccharide that is β-D-mannopyranose in which the hydrogens of hydroxy groups are replaced by a 3-O-α-D-mannopyranosyl-α-D-mannopyranosyl group at position 6, a α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl group at position 3, and a chitobiose group at position 1.
Last Modified	14 January 2020
Submitter	Gareth Owen
Downloads	Molfile

Formula	C52H88N2O41
Net Charge	0
Average Mass	1397.249
Monoisotopic Mass	1396.48625
SMILES	CC(=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](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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[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]1O
WURCS	WURCS=2.0/4,8,7/[a2122h-1a_1-5_2NCC/3=O][a2122h-1b_1-5_2NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1
InChI	InChI=1S/C52H88N2O41/c1-11(62)53-21-29(70)39(18(8-60)82-45(21)80)90-46-22(54-12(2)63)30(71)40(19(9-61)88-46)91-50-38(79)42(28(69)20(89-50)10-81-47-37(78)41(27(68)17(7-59)83-47)92-48-35(76)31(72)23(64)13(3-55)84-48)93-51-44(34(75)26(67)15(5-57)86-51)95-52-43(33(74)25(66)16(6-58)87-52)94-49-36(77)32(73)24(65)14(4-56)85-49/h13-52,55-61,64-80H,3-10H2,1-2H3,(H,53,62)(H,54,63)/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+,43+,44+,45+,46+,47+,48-,49-,50+,51-,52-/m1/s1
InChIKey	UYUJPLLWZKNBLV-VYDFUHKESA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-Manp-(1→3)-α-D-Manp-(1→6)-[α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145612) has functional parent α-D-Manp-(1→6)-[α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145621)
	α-D-Manp-(1→3)-α-D-Manp-(1→6)-[α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145612) is a amino octasaccharide (CHEBI:71060)
	α-D-Manp-(1→3)-α-D-Manp-(1→6)-[α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145612) is a high-mannose oligosaccharide (CHEBI:5717)
Incoming Relation(s)
	α-D-Manp-(1→2)-α-D-Manp-(1→2)α-D-Manp-(1→3)-[α-D-Manp-(1→2)-α-D-Manp-(1→3)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145631) has functional parent α-D-Manp-(1→3)-α-D-Manp-(1→6)-[α-D-Manp-(1→2)-α-D-Manp-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145612)

IUPAC Name
α-D-mannopyranosyl-(1→3)-α-D-mannopyranosyl-(1→6)-[α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranose

Synonyms	Source
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide	IUPAC
Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-3)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc	IUPAC

Synonyms

Source

N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

IUPAC

Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-3)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc

IUPAC

Manual Xrefs	Databases
G44865OQ	GlyTouCan
G10595	KEGG GLYCAN
G44865OQ	GlyGen