기본 정보
- CAS
127663-77-8- 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]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
GIVLTTJNORAZON-HDBOBKCLSA-N- 분자식
- C67H121N3O26
- 평균 분자량
- 1,384.7 g/mol
개요
Ganglioside GM2 (18:0) is a sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(14)-alpha-N-acetylneuraminosyl-(23)-beta-D-galactosyl-(14)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is octadecanoyl. A constituent of natural ganglioside GM2. It has a role as an antigen. It is a N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine and a sialotriaosylceramide. It is a conjugate acid of a ganglioside GM2 (18:0) (1-).
이름 및 식별자
- 우선 이름
- (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-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
- 영어명
- GANGLIOSIDE GM2(18,18)
- 분자식
- C67H121N3O26
- 분자량
- 1384.7
이름 및 동의어
127663-77-8GM2 lipidganglioside GM2 (18:0)CHEBI:60327(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosidebeta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-N-octadecanoylsphingosinemonosialoganglioside GM2GM2(d18:1/18:0)Epitope ID:139972GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0)LMSP0601AM02orb1942426
이름 더 보기
GANGLIOSIDE GM2(18,18)C18:0 GM2 Ceramide (d18:1/18:0)Neu5Acα2, 3(GalNAcβ1, 4)Galβ1, 4Glc CeramideNeu5Aca2,3(GalNAcb1,4)Galb1,4Glc Ceramide Synonym:GM2Octadecanamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[N-acetyl-α-neuraminosyl-(2→3)]-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-
SCHEMBL21683088ganglioside GM2 (18:1/18:0)DA-53487PD006807HY-148385CS-0621068T82340beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-N-stearoylsphingosine
데이터베이스 식별자
- CAS
127663-77-8- ChEBI
CHEBI:60327
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 461 Ų
- 수소 결합 공여자 수
- 17
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 49
- 무거운 원자 수
- 96
- 형식 전하
- 0
- 복잡도
- 2,180
실험 및 물리화학적 성질
LipidsLipids -> Sphingolipids [SP] -> Acidic glycosphingolipids [SP06] -> Gangliosides [SP0601]
물리화학적 성질
- 끓는 점
- 1417.9 · 1417.9±65.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 1.85 · 1.85±0.70(Predicted)
- 물리적 상태
- powder
- 색상
- White to off-white
- 생물학적 소스
- synthetic
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사9 곳
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
武汉糖智药业有限公司+86-27-63498076 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
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