기본 정보
- CAS
69283-33-6- 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]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC- InChIKey
KWGVNZWSEWAOMI-DHCJWVHISA-N- 분자식
- C54H101NO18
- 평균 분자량
- 1,052.4 g/mol
개요
Alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0) is a glycotriaosylceramide having alpha-D-galactosyl-(14)-beta-D-galactosyl-(14)-beta-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/18:0). It has a role as a mouse metabolite. It is functionally related to an octadecanoic acid.
이름 및 식별자
- 우선 이름
- alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0)
- IUPAC
- N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide
- 영어명
- C18 Globotriaosylceramide (d18:1/18:0)
- 분자식
- C54H101NO18
- 분자량
- 1052.37564
이름 및 동의어
69283-33-6C18 Globotriaosylceramide (d18:1/18:0)alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0)Gb3(d18:1/18:0)N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamideGalalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0)Hex3Cer 36:1;O2LMSP0502AA02orb1984963SCHEMBL29359335CHEBI:84690AKOS040755827
이름 더 보기
Octadecanoyl-ceramide trihexosideN-Octadecanoyl-ceramide trihexosideOctadecanamide, N-[(1S,2R,3E)-1-[[(O-α-D-galactopyranosyl-(1→4)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-
T37439Q27157992N-[(1S,2R,3e)-1-[[(O-|A-d-Galactopyranosyl-(1 inverted exclamation marku4)-O-|A-d-galactopyranosyl-(1 inverted exclamation marku4)-|A-d-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]octadecanamideN-[(1S,2R,3E)-1-[[(O-alpha-D-galactopyranosyl-(1-->4)-O-beta-D-galactopyranosyl-(1-->4)-beta-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-octadecanamideN-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 307 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 41
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 1,400
실험 및 물리화학적 성질
LipidsLipids -> Sphingolipids [SP] -> Neutral glycosphingolipids [SP05] -> Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502]
물리화학적 성질
- 끓는 점
- 1132.1 · 1132.1±65.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- Chloroform:Methanol (2:1): Soluble; DMSO: Soluble; Methanol: Warmed
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.76 · 12.76±0.70(Predicted)
- InChIKey
- KWGVNZWSEWAOMI-DHCJWVHISA-N
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
응용 분야
개요C18 globotriaosylceramide is an endogenous sphingolipid found in mammalian cell membranes that is synthesized from lactosylceramide . It inhibits aggregation of human neutrophils induced by phorbol 12-myristate 13-acetate (PMA; 10008014) when used at a concentration of 1 μM. C18 globotriaosylceramide acts as a receptor for Shiga toxin in B cell-derived Raji cells and THP-1 monocytes. It accumulates in the brain, heart, kidney, liver, lung, and spleen in a mouse model of Fabry disease, a lysosomal storage disorder characterized by a deficiency in the enzyme α-galactosidase A. C18 globotriaosylceramide also accumulates in endothelial cells, pericytes, vascular smooth muscle cells, renal epithelial cells, dorsal ganglia neuronal cells, and myocardial cells in patients with Fabry disease. [Matreya, LLC. Catalog No. 1529]
공급사7 곳
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
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