Chem
J-GLOBAL ID：200907048924904227   Nikkaji number：J497.183C

Enniatin B1

エンニアチンB1
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： C34H59N3O9
Molecular formula furigana： C34-H59-N3-O9
Molecular weight： 653.858
InChI： InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1
InChI key： UQCSETXJXJTMKO-UMURLBKASA-N
SMILES： CC[C@H](C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)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-Val-D-Hmb-N-メチル-L-Ile-D-Hmb-)
  • (3S,6R,9S,12R,15S,18R)-3-[(2S)-ブタン-2-イル]-4,10,16-トリメチル-6,9,12,15,18-ペンタキス(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-[(2S)-butan-2-yl]-4,10,16-trimethyl-6,9,12,15,18-pentakis(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B1
  • Enniatin B1
  • N-Methylcyclo(L-Val-D-Hmb-N-methyl-L-Val-D-Hmb-N-methyl-L-Ile-D-Hmb-)
  • エンニアチンB1
  • Enniatin B1
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