Chem
J-GLOBAL ID：200907029008865076   Nikkaji number：J507.670F

Liposidomycin B

リポシドマイシンB
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： C42H67N5O21S
Molecular formula furigana： C42-H67-N5-O21-S
Molecular weight： 1010.070
InChI： InChI=1S/C42H67N5O21S/c1-21(2)12-10-8-6-7-9-11-13-23(63-28(51)17-22(3)16-27(49)50)18-29(52)64-25-20-45(4)31(38(56)46(5)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(19-43)65-41)36-33(54)34(55)39(66-36)47-15-14-26(48)44-42(47)59/h14-15,21-25,30-37,39,41,53-55H,6-13,16-20,43H2,1-5H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)/t22?,23?,24-,25?,30?,31?,32-,33+,34-,35?,36+,37-,39-,41+/m1/s1
InChI key： LGBOBVYRTQDYBA-ZUGGQKJLSA-N
SMILES： CC(C)CCCCCCCCC(CC(=O)OC1CN(C)C(C(O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2OS(=O)(=O)O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O
Systematic name  (3)：
  • 2-[5′-(5-アミノ-5-デオキシ-2-O-スルホ-β-D-リボフラノシルオキシ)-5′-ウリジル]-6-[3-(4-カルボキシ-3-メチルブチリルオキシ)-12-メチルトリデカノイルオキシ]ヘキサヒドロ-1,4-ジメチル-3-オキソ-1H-1,4-ジアゼピン-5-カルボン酸
  • 2-({[(2S,3R,4R,5R)-5-(アミノメチル)-4-ヒドロキシ-3-(スルホオキシ)オキソラン-2-イル]オキシ}[(2S,3S,4R,5R)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]メチル)-6-({3-[(4-カルボキシ-3-メチルブタノイル)オキシ]-12-メチルトリデカノイル}オキシ)-1,4-ジメチル-3-オキソ-1,4-ジアゼパン-5-カルボン酸
  • 2-({[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-(sulfooxy)oxolan-2-yl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl)-6-({3-[(4-carboxy-3-methylbutanoyl)oxy]-12-methyltridecanoyl}oxy)-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Other name (3)：
  • リポシドマイシンB
  • Liposidomycin B
  • 2-[5′-(5-Amino-5-deoxy-2-O-sulfo-β-D-ribofuranosyloxy)-5′-uridyl]-6-[3-(4-carboxy-3-methylbutyryloxy)-12-methyltridecanoyloxy]hexahydro-1,4-dimethyl-3-oxo-1H-1,4-diazepine-5-carboxylic acid
KEGG COMPOUND： C12006
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