Chem
J-GLOBAL ID：200907048428627949   Nikkaji number：J534.409C

7-Hydroxypradimicin A

7-ヒドロキシプラジミシンA
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： C40H44N2O19
Molecular formula furigana： C40-H44-N2-O19
Molecular weight： 856.787
InChI： InChI=1S/C40H44N2O19/c1-10-6-15-20(28(47)18(10)37(54)42-11(2)38(55)56)21-22(31(50)24-23(30(21)49)26(45)14-7-13(57-5)8-16(43)19(14)29(24)48)32(51)35(15)60-40-34(53)36(25(41-4)12(3)59-40)61-39-33(52)27(46)17(44)9-58-39/h6-8,11-12,17,25,27,32-36,39-41,43-44,46-47,49-53H,9H2,1-5H3,(H,42,54)(H,55,56)/t11-,12-,17-,25+,27+,32+,33-,34-,35+,36+,39+,40+/m1/s1
InChI key： VBTCKXSLQWDWIM-DJJKLISESA-N
SMILES： CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3c(O)c4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3c3c(O)c(C(=O)N[C@H](C)C(=O)O)c(C)cc23)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • N-[[[(5S)-5α-[(4-メチルアミノ-3-O-β-D-キシロピラノシル-4,6-ジデオキシ-β-D-ガラクトピラノシル)オキシ]-5,6,8,13-テトラヒドロ-1,6β,7,9,14-ペンタヒドロキシ-11-メトキシ-3-メチル-8,13-ジオキソベンゾ[a]ナフタセン]-2-イル]カルボニル]-D-アラニン
  • (2R)-2-{[(10S,11S)-2,5,11,13,17-ペンタヒドロキシ-10-{[(2S,3R,4S,5S,6R)-3-ヒドロキシ-6-メチル-5-(メチルアミノ)-4-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-19-メトキシ-7-メチル-15,22-ジオキソペンタシクロ[12.8.0.03,12.04,9.016,21]ドコサ-1(14),2,4,6,8,12,16,18,20-ノナエン-6-イル]ホルムアミド}プロパン酸
  • (2R)-2-{[(10S,11S)-2,5,11,13,17-pentahydroxy-10-{[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,12,16,18,20-nonaen-6-yl]formamido}propanoic acid
Other name (5)：
  • 7-ヒドロキシプラジミシンA
  • 7-Hydroxypradimicin A
  • N-[[[(5S)-5α-[(4-Methylamino-3-O-β-D-xylopyranosyl-4,6-dideoxy-β-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6β,7,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen]-2-yl]carbonyl]-D-alanine
  • 7-Hydroxylpradimicin A
  • 7-ヒドロキシルプラジミシンA
KEGG COMPOUND： C06782
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