Ganglioside GM1

HCID 9963963

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기본 정보

CAS
116950-37-9
표준 SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC
InChIKey
QPJBWNIQKHGLAU-IQZHVAEDSA-N
분자식
C73H131N3O31
평균 분자량
1,546.8 g/mol

개요

Ganglioside GM1 is a sialotetraosylceramide consisting of a branched pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage. It is an alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine and a sialotetraosylceramide. It contains a ->8)-alpha-Neu5Ac-(2->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-yl group. It is a conjugate acid of a ganglioside GM1(1-).

이름 및 식별자

우선 이름
Ganglioside GM1
IUPAC
(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

이름 및 동의어

GANGLIOSIDE GM1Ganglioside G1Ganglioside M1Siagoside hydrate116950-37-9Ganglioside GM1 [MI]GANGLIOSIDE GM1, AMMONIUM SALT, BOVINESialosylganglio-N-tetraosylceramideUNII-562413257ZCHEBI:61048GM1-Ganglioside562413257Z
이름 더 보기
Ganglioside GIGanglioside A2Ganglioside GM1aGanglioside GGtet1ganglioside GMlGanglioside GM1 (18:1/18:0)GM1(d18:1/18:0)(Neu5Ac)GM1

데이터베이스 식별자

CAS
116950-37-9、37758-47-7
PubChem CID
9963963
ChEBI
CHEBI:61048
UNII
562413257Z

물성

구조 계산 물성보충 중

XLogP
4
극성 표면적
541 Ų
수소 결합 공여자 수
20
수소 결합 수용자 수
31
회전 가능 결합 수
52
무거운 원자 수
107

실험 및 물리화학적 성질

LipidsLipids -> Sphingolipids [SP] -> Acidic glycosphingolipids [SP06] -> Gangliosides [SP0601]

안전 및 규제

유해성 정보

Regulatory InformationGanglioside GM1: Does not have an individual approval but may be used under an appropriate group standard

관련 반응

24건

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