alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc(1-) (CHEBI:145400)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145400 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−)

Take structure to advanced search

ChEBI ID	CHEBI:145400
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−)
Stars
ASCII Name	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc(1-)
Definition	A carbohydrate acid derivative anion resulting from the deprotonation of the carboxy group of α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc. The major species at pH 7.3
Last Modified	21 November 2019
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C65H107N4O47
Net Charge	-1
Average Mass	1696.552
Monoisotopic Mass	1695.61111
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]7CO)[C@@H]6O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C65H108N4O47/c1-15-33(83)40(90)42(92)59(100-15)111-51-31(68-19(5)79)57(113-53-36(86)23(9-71)103-61(44(53)94)108-47-26(12-74)102-56(97)30(39(47)89)67-18(4)78)106-27(13-75)48(51)109-62-45(95)54(37(87)24(10-72)104-62)114-58-32(69-20(6)80)52(112-60-43(93)41(91)34(84)16(2)101-60)49(28(14-76)107-58)110-63-46(96)55(38(88)25(11-73)105-63)116-65(64(98)99)7-21(81)29(66-17(3)77)50(115-65)35(85)22(82)8-70/h15-16,21-63,70-76,81-97H,7-14H2,1-6H3,(H,66,77)(H,67,78)(H,68,79)(H,69,80)(H,98,99)/p-1/t15-,16-,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+,53-,54-,55-,56?,57-,58-,59-,60-,61-,62-,63-,65-/m0/s1
InChIKey	MVHQMCYYWJOUQD-JJINHPHOSA-M

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−) (CHEBI:145400) has functional parent α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−) (CHEBI:145401)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−) (CHEBI:145400) is a carbohydrate acid derivative anion (CHEBI:63551)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−) (CHEBI:145400) is a monocarboxylic acid anion (CHEBI:35757)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−) (CHEBI:145400) is conjugate base of α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145454)
Incoming Relation(s)
Incoming Relation(s)	α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145454) is conjugate acid of α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−) (CHEBI:145400)

IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose(1−)

Synonyms	Source
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[6-deoxy-α-L-Galp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[6-deoxy-α-L-Galp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−)	ChEBI
N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine(1−)	ChEBI

UniProt Name	Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc	UniProt

Citations