基本情報
- CAS
151122-71-3- 標準SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC- InChIKey
MEAZTWJVOWHKJM-CIAPRIGGSA-N- 分子式
- C48H93NO11S
- 平均分子量
- 892.3 g/mol
- 単同位体質量
- 891.64693396
概要
1-(3-O-sulfo-beta-D-galactosyl)-N-tetracosanoylsphingosine is a D-galactosyl-N-acylsphingosine having a sulfo group at the 3-position on the galactose ring and tetracosanoyl as the N-acyl group. It is a galactosylceramide sulfate and a N-acyl-beta-D-galactosylsphingosine. It is a conjugate acid of a 1-(3-O-sulfo-beta-D-galactosyl)-N-tetracosanoylsphingosine(1-).
名称と識別子
- 優先名称
- N-((1S,2R,3E)-2-Hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecen-1-yl)tetracosanamide
- IUPAC
- [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enoxy]oxan-4-yl] hydrogen sulfate
- 英語名
- (2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydrox y-2-(tetracosanoylamino)octadec-4-enoxy]-4-sulfooxy-oxane
- 分子式
- C48H93NO11S
- 分子量
- 892.32
名称と別名
151122-71-3DTXSID901110847RefChem:1090666DTXCID501542464N-((1S,2R,3E)-2-Hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecen-1-yl)tetracosanamide3'-SulfogalactosylceramideSulfoglycosphingolipidsTetracosanoyl-sulfatideCHEBI:60361C24 3'-sulfo Galactosylceramide (d18:1/24:0)[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enoxy]oxan-4-yl] hydrogen sulfate1-(3-O-sulfo-beta-D-galactosyl)-N-tetracosanoylsphingosine
名称をさらに表示
C24 3’N-Tetracosanoyl-sulfatide-sulfo Galactosylceramide (d18:1/24:0)N-Tetracosanoyl sulfatide, CNS sulfolipid analogueTetracosanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydrox y-2-(tetracosanoylamino)octadec-4-enoxy]-4-sulfooxy-oxane
(3'-sulfo)Galbeta-Cer(d18:1/24:0)[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enoxy]tetrahydropyran-4-yl] hydrogen sulfateTetracosanamide, N-((1S,2R,3E)-2-hydroxy-1-(((3-O-sulfo-beta-D-galactopyranosyl)oxy)methyl)-3-heptadecenyl)-3-O-Sulfogalactosylceramide (d18:1/24:0)tetracosanoyl sulfatideSHexCer 42:1;O23' SulfogalactosylceramideEpitope ID:139424
物性
構造計算による物性
- XLogP
- 15.2
- 極性表面積
- 200 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 11
- 回転可能結合数
- 43
- 重原子数
- 61
- 形式電荷
- 0
- 複雑度
- 1,140
実験および物理化学的性質
LipidsLipids -> Sphingolipids [SP] -> Acidic glycosphingolipids [SP06] -> Sulfoglycosphingolipids (sulfatides) [SP0602]
物理化学的性質
- 比重(密度)
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Chloroform:Methanol (5:1): soluble
- 外見
- A solid
- 酸解離定数(Pka)
- -3.61 · -3.61±0.18(Predicted)
化学と産業
サプライヤー7 社
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Alfa Chemistry1-516-6625404 · [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]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
補足説明
定義ChEBI: A D-galactosyl-N-acylsphingosine having a sulfo group at the 3-position on the galactose ring and tetracosanoyl as the N-acyl group.
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