Chem
J-GLOBAL ID：200907000367569557   Nikkaji number：J442.537E

Nystatin A3

ニスタチンA3
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： C53H85NO20
Molecular formula furigana： C53-H85-N-O20
Molecular weight： 1056.250
InChI： InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/t29?,30?,31?,32-,33+,34?,35?,36?,37?,38?,39+,40?,41?,42?,44?,45?,46-,47-,48+,49-,50?,52-,53?/m0/s1
InChI key： IKYMLQOHQLVORI-RIRLNMAOSA-N
SMILES： C[C@@H]1OC(C[C@@H](O)[C@H]1O)OC1C(C)C=CC=CCCC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C1C)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O
Systematic name  (3)：
  • 35-O-(2,6-ジデオキシ-L-ribo-ヘキソピラノシル)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}-17-{[(4R,5R,6S)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1,3,4,7,9,11,37-ヘプタヒドロキシ-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}-17-{[(4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,4,7,9,11,37-heptahydroxy-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)：
  • ニスタチンA3
  • Nystatin A3
  • 35-O-(2,6-Dideoxy-L-ribo-hexopyranosyl)nystatin A1
  • ニスタチンA3
  • Nystatin A3
KEGG COMPOUND： C12156
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