beta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-D-GlcpNAc

HCID 22806751

기본 정보

표준 SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey: CFDVGUXRLQWLJX-QGTNPELVSA-N
분자식: C20H35NO15
평균 분자량: 529.5 g/mol

개요

Beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc is an amino trisaccharide consisting of N-acetylglucosamine having a fucosyl residue attached at the 4-position via an alpha-linkage and a galactosyl residue attached at the 3-position via a beta-linkage. It has a role as an epitope and an antigen. It is a glucosamine oligosaccharide and an amino trisaccharide.

이름 및 식별자

우선 이름: beta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-D-GlcpNAc
IUPAC: N-[(3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

이름 및 동의어

CHEBI:62265beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAcalpha-L-fucopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranosebeta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-D-GlcpNAcalpha-L-fucopyranosyl-(1->4)-(beta-D-galactopyranosyl-(1->3))-2-acetamido-2-deoxy-D-glucopyranoseRefChem:619453GlyTouCan:G00047MOG00047MO56570-03-7CHEMBL3590185Galbeta1-3(Fucalpha1-4)GlcNAcGalbeta1-3[Fucalpha1-4]GlcNAc

이름 더 보기

N-[(3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamideLe(a)alpha-L-Fuc-(1->4)-[beta-D-Gal-(1->3)]-D-GlcNAcbeta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-D-GlcNAcalpha-L-Fucp-(1->4)-[beta-D-Galp-(1->3)]-D-GlcpNAcalpha-L-fucosyl-(1->4)-[beta-D-galactosyl-(1->3)]-N-acetyl-D-glucosaminebeta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-D-glucosamine6-deoxy-alpha-L-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranose

데이터베이스 식별자

PubChem CID: 22806751
ChEMBL: CHEMBL3590185
ChEBI: CHEBI:62265
Nikkaji: J2.260.750B

물성

구조 계산 물성

XLogP: -5.8
극성 표면적: 257 Å²
수소 결합 공여자 수: 10
수소 결합 수용자 수: 15
회전 가능 결합 수: 7
무거운 원자 수: 36
형식 전하: 0
복잡도: 731

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