Cis-tetracosenoyl sulfatide
基本情報
- CAS
151057-28-2- 標準SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC- InChIKey
ZZQWQNAZXFNSEP-JCOQVFCVSA-N- 分子式
- C48H91NO11S
- 平均分子量
- 890.3 g/mol
- 単同位体質量
- 889.63128389
概要
1-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine is an N-acyl-beta-D-galactosylsphingosine having a sulfo group at the 3-position on the galactose ring and (15Z)-tetracos-15-enoyl as the N-acyl group. It has a role as an epitope. 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-[(15Z)-tetracos-15-enoyl]sphingosine(1-).
名称と識別子
- 優先名称
- Cis-tetracosenoyl sulfatide
- IUPAC
- [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]octadec-4-enoxy]oxan-4-yl] hydrogen sulfate
- 英語名
- C24:1 3'-sulfo Galactosylceramide (d18:1/24:1(15Z))
- 分子式
- C48H91NO11S
- 分子量
- 890.3
名称と別名
CIS-TETRACOSENOYL SULFATIDELH5A9ZGN2URefChem:577429C24:1 Sulfatide151057-28-2sulfatide C24:1Sulfo galactosylceramide(3'-sulfo)Galbeta-Cer(d18:1/24:1(15Z))(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDECHEBI:415391-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]octadec-4-enoxy]oxan-4-yl] hydrogen sulfate
名称をさらに表示
C24:1 3’N-Tetracosenoyl-(cis-15)-sulfatide-sulfo Galactosylceramide (d18:1/24:1(15Z))C24:1 3′,-sulfo Galactosylceramide (d18:1/24:1(15Z))N-[(1S)-2R-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3E-heptadecen-1-yl]-15Z-tetracosenamide15-Tetracosenamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-, (15Z)-
C24:1 3'-sulfo Galactosylceramide (d18:1/24:1(15Z))3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))(15Z)-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}tetracos-15-enamide(2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-(((2S,3R,E)-3-hydroxy-2-((Z)-tetracos-15-enamido)octadec-4-en-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl hydrogen sulfateSHexCer 42:2;O2Epitope ID:139419orb1692144SCHEMBL29368186
データベース識別子
- CAS
151057-28-2- PubChem CID
- 5459361
- DTXSID
DTXSID901106551- ChEBI
CHEBI:41539- UNII
- LH5A9ZGN2U
- Nikkaji
- J1.603.399E
物性
構造計算による物性
- XLogP
- 14.3
- 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
- 42
- 重原子数
- 61
- 形式電荷
- 0
- 複雑度
- 1,180
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sphingolipids [SP] -> Acidic glycosphingolipids [SP06] -> Sulfoglycosphingolipids (sulfatides) [SP0602]
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Chloroform:Methanol (5:1): soluble
- 外見
- A solid
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