Chem
J-GLOBAL ID：200907099407138674   Nikkaji number：J9.845K

Nystatin A1

ナイスタチンA1
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： C47H75NO17
Molecular formula furigana： C47-H75-N-O17
Molecular weight： 926.107
InChI： InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/t27?,28?,29?,30-,31?,32?,33?,34?,35?,36?,37?,38?,40?,41+,42?,43-,44+,46+,47?/m1/s1
InChI key： VQOXZBDYSJBXMA-YRYSSRCWSA-N
SMILES： C[C@H]1O[C@@H](OC2CC3OC(O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CCCC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O
Systematic name  (3)：
  • ニスタチンA1
  • 33-{[(2R,3S,4S,5S,6R)-4-アミノ-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1,3,4,7,9,11,17,37-オクタヒドロキシ-15,16,18-トリメチル-13-オキソ-14,39-ジオキサビシクロ[33.3.1]ノナトリアコンタ-19,21,25,27,29,31-ヘキサエン-36-カルボン酸
  • 33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
Other name (5)：
  • Nystatin A1
  • ナイスタチンA1
  • ナイスタチンA1
  • ニスタチンA1
  • Nystatin A1
CAS registry number： 34786-70-4
KEGG COMPOUND： C12155
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