Chem
J-GLOBAL ID:200907083441240158
Nikkaji number:J285.445G
Glucoerysolin
グルコエリソリン
Download MOL file
Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C12 H22 KNO11 S3
Molecular formula furigana:
C12-H22-K-N-O11-S3
Molecular weight:
491.580
InChI:
InChI=1S/C12H23NO11S3.K/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12;/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22);/q;+1/p-1/t7-,9-,10+,11-,12+;/m1./s1
InChI key:
MRWGDPZZBCERIT-YGPFZAKASA-M
SMILES:
CS(=O)(=O)CCCCC(=NOS(=O)(=O)O[K])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name (3):
1-チオ-β-D-グルコピラノース1-[5-(メチルスルホニル)-N-(ポタシオスルホオキシ)ペンタンイミダート]
(2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-{[5-メタンスルホニル-1-({[(ポタッシオオキシ)スルホニル]オキシ}イミノ)ペンチル]スルファニル}オキサン-3,4,5-トリオール
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[5-methanesulfonyl-1-({[(potassiooxy)sulfonyl]oxy}imino)pentyl]sulfanyl}oxane-3,4,5-triol
Other name (3):
1-Thio-β-D-glucopyranose 1-[5-(methylsulfonyl)-N-(potassiosulfooxy)pentanimidate]
グルコエリソリン
Glucoerysolin
CAS registry number:
22149-26-4
Regulation number (1):
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