15324-64-8 (甘氨酸,N-[(3a,5b)-24-氧代-3-(磺酰氧基)胆聚糖-24-基]-,Glycine, N-[(3a,5b)-24-oxo-3-(sulfooxy)cholan-24-yl]-)

CAS号:
15324-64-8
中文名称:
甘氨酸,N-[(3a,5b)-24-氧代-3-(磺酰氧基)胆聚糖-24-基]-
英文名称:
Glycine, N-[(3a,5b)-24-oxo-3-(sulfooxy)cholan-24-yl]-
分子式:
C26H43NO7S
分子量:
513.687127351761

甘氨酸,N-[(3a,5b)-24-氧代-3-(磺酰氧基)胆聚糖-24-基]-(15324-64-8)名称与标识符

名称

英文别名:
Glycine, N-[(3a,5b)-24-oxo-3-(sulfooxy)cholan-24-yl]-;[(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-(carboxymethylamino)-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;(3alpha,5beta)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl sulfate;N-[(3alpha,5beta)-24-oxo-3-(sulfooxy)cholan-24-yl]glycine;Sulfolithocholylglycine;CHEBI:9347;ZH5HPJ9WHW;HY-113074;Glycolithocholic acid 3-sulfate;64936-82-9;15324-64-8;Glycine amidated;N-((3.ALPHA.,5.BETA.)-24-OXO-3-(SULFOOXY)CHOLAN-24-YL)GLYCINE;Q27108355;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,1;Glycolithocholic acid sulfate;glycolithocholic acid sulphate;Glycolithocholate 3-sulfate;CS-0059495;Glycine, N-((3alpha,5beta)-24-oxo-3-(sulfooxy)cholan-24-yl)-;LMST05030015;BDBM50420218;Glycine, N-((3.alpha., 5.beta.)-24-oxo-3-(sulfooxy)cholan-24-yl)-;MS-29540;Sulfolithoglycocholine;Glycolithocholate sulfate;N-(3.ALPHA.-(SULFONATOOXY)-5.BETA.-CHOLAN-24-OYL)GLYCINE;ST 24:1;O3;G;S;SCHEMBL233801;N-[3alpha-(sulfooxy)-5beta-cholan-24-oyl]glycine;Glycolithocholate sulphate;CHEMBL2074584;GLCA-Sul;GLYCINE, N-(3.ALPHA.-HYDROXY-5.BETA.-CHOLAN-24-OYL)-, HYDROGEN SULFATE;GLYCOLITHOCHOLIC ACID 3.ALPHA.-SULFATE;GLYCINE, N-((3.ALPHA.,5.BETA.)-24-OXO-3-(SULFOOXY)CHOLAN-24-YL)-;Sulfoglycolithocholic acid;UNII-ZH5HPJ9WHW;3.ALPHA.-HYDROXY-5.BETA.-CHOLANOYLGLYCINE 3-SULFATE;Glycolithocholic acid 3-sulphate;LCA-Sul;SLCG;Glycolithocholate 3-sulphate;N-[3alpha-(sulfonatooxy)-5beta-cholan-24-oyl]glycine;DA-53627;

标识符

InChIKey:
FHXBAFXQVZOILS-OETIFKLTSA-N
Inchi:
1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
SMILES:
S(=O)(=O)(O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(NCC(=O)O)=O)CC[C@H]21

甘氨酸,N-[(3a,5b)-24-氧代-3-(磺酰氧基)胆聚糖-24-基]-(15324-64-8)物化性质

计算特性

  • 精确分子量 : 513.27602388g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 8
  • 同位素质量 : 513.27602388g/mol
  • 重原子数量 : 35
  • 复杂度 : 917
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 5.2
  • 拓扑分子极性表面积 : 138Ų

甘氨酸,N-[(3a,5b)-24-氧代-3-(磺酰氧基)胆聚糖-24-基]-(15324-64-8)推荐厂家 更多厂家(3)

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上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海麦克林生化科技股份有限公司 15221275939
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沈经理 269348414
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