Chem
J-GLOBAL ID：200907028839321106   Nikkaji number：J497.182E

Enniatin A1

エンニアチン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： C35H61N3O9
Molecular formula furigana： C35-H61-N3-O9
Molecular weight： 667.885
InChI： InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1
InChI key： OWUREPXBPJFMOK-CIRFPNLUSA-N
SMILES： CC[C@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C
Systematic name  (3)：
  • N-メチルシクロ(L-Val-D-Hmb-N-メチル-L-Ile-D-Hmb-N-メチル-L-Ile-D-Hmb-)
  • (3S,6R,9S,12R,15S,18R)-3,9-ビス[(2S)-ブタン-2-イル]-4,10,16-トリメチル-6,12,15,18-テトラキス(プロパン-2-イル)-1,7,13-トリオキサ-4,10,16-トリアザシクロオクタデカン-2,5,8,11,14,17-ヘキサオン
  • (3S,6R,9S,12R,15S,18R)-3,9-bis[(2S)-butan-2-yl]-4,10,16-trimethyl-6,12,15,18-tetrakis(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Other name (5)：
  • エンニアチンA1
  • Enniatin A1
  • N-Methylcyclo(L-Val-D-Hmb-N-methyl-L-Ile-D-Hmb-N-methyl-L-Ile-D-Hmb-)
  • エンニアチンA1
  • Enniatin A1
Thsaurus map：
Thesaurus Map

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