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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
- 형식 전하
- 0
- 복잡도
- 2,500
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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