alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc

HCID 5326971

기본 정보

표준 SMILES: CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIKey: MGSDFCKWGHNUSM-QVPNGJTFSA-N
분자식: C20H35NO15
평균 분자량: 529.5 g/mol
단동위원소 질량: 529.20066941

이름 및 식별자

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

이름 및 동의어

H type I epitopeH type Ihuman blood group H type 1 trisaccharidealpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAcCHEBI:59296alphaLFuc(1-2)betaDGal(1-3)betaDGlcNAcalpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAcalpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoseRefChem:555774GlyTouCan:G40696TOG40696TOglobo-H

이름 더 보기

Fucalpha1-2Galbeta1-3GlcNAcbeta6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoseFuca1-2Galb1-3GlcNAcbEpitope ID:130652SCHEMBL29379691MGSDFCKWGHNUSM-QVPNGJTFSA-NDB04679N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

데이터베이스 식별자

PubChem CID: 5326971
ChEBI: CHEBI:59296
Nikkaji: J806.547K

물성

구조 계산 물성

XLogP: -5.3
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

연결된 노트

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