Chem
J-GLOBAL ID：200907066303850059   Nikkaji number：J690.468H

Mannopine

マンノピン
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： C11H22N2O8
Molecular formula furigana： C11-H22-N2-O8
Molecular weight： 310.303
InChI： InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1
InChI key： VPRLICVDSGMIKO-SZWOQXJISA-N
SMILES： NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (3)：
  • N2-[(2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル]-L-グルタミン
  • (2S)-4-カルバモイル-2-{[(2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル]アミノ}ブタン酸
  • (2S)-4-carbamoyl-2-{[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}butanoic acid
Other name (3)：
  • マンノピン
  • Mannopine
  • N2-[(2R,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-L-glutamine
CAS registry number： 87084-52-4
KEGG COMPOUND： C16692
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