Chem
J-GLOBAL ID：200907007375875025   Nikkaji number：J161.414B

JI-2OB

抗生物質JI-20B
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： C20H41N5O9
Molecular formula furigana： C20-H41-N5-O9
Molecular weight： 495.574
InChI： InChI=1S/C20H41N5O9/c1-6(21)14-11(27)10(26)9(24)18(32-14)33-15-7(22)4-8(23)16(12(15)28)34-19-13(29)17(25-3)20(2,30)5-31-19/h6-19,25-30H,4-5,21-24H2,1-3H3/t6-,7-,8+,9+,10+,11-,12-,13+,14+,15+,16-,17+,18-,19+,20-/m0/s1
InChI key： WYJSPPYVEJPMJA-WAUVBCJQSA-N
SMILES： CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@H]3O[C@H]([C@H](C)N)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)OC[C@]1(C)O
Systematic name  (3)：
  • 4-O-(2,6-ジアミノ-2,6,7-トリデオキシ-α-L-glycero-D-gluco-ヘプトピラノシル)-6-O-[4-C-メチル-3-(メチルアミノ)-3-デオキシ-β-L-アラビノピラノシル]-2-デオキシ-D-ストレプタミン
  • (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-ジアミノ-3-{[(2S,3R,4R,5S,6R)-3-アミノ-6-[(1S)-1-アミノエチル]-4,5-ジヒドロキシオキサン-2-イル]オキシ}-2-ヒドロキシシクロヘキシル]オキシ}-5-メチル-4-(メチルアミノ)オキサン-3,5-ジオール
  • (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R,4R,5S,6R)-3-amino-6-[(1S)-1-aminoethyl]-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol
Other name (4)：
  • 抗生物質JI-20B
  • JI-2OB
  • Antibiotic JI-20B
  • 4-O-(2,6-Diamino-2,6,7-trideoxy-α-L-glycero-D-gluco-heptopyranosyl)-6-O-[4-C-methyl-3-(methylamino)-3-deoxy-β-L-arabinopyranosyl]-2-deoxy-D-streptamine
CAS registry number： 51846-98-1
Regulation number (1)：
  • WK2291000
KEGG COMPOUND： C17705
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