Chem
J-GLOBAL ID：200907014834206839   Nikkaji number：J15.478D

Enniatin B

エンニアチンB
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： C33H57N3O9
Molecular formula furigana： C33-H57-N3-O9
Molecular weight： 639.831
InChI： InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1
InChI key： MIZMDSVSLSIMSC-VYLWARHZSA-N
SMILES： CC(C)[C@H]1OC(=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](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C
Systematic name  (4)：
  • N-メチルシクロ(L-Val-D-Hmb-N-メチル-L-Val-D-Hmb-N-メチル-L-Val-D-Hmb-)
  • (3S,6R,9S,12R,15S,18R)-3,6,9,12,15,18-ヘキサイソプロピル-4,10,16-トリメチル-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)-4,10,16-トリメチル-3,6,9,12,15,18-ヘキサキス(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)-4,10,16-trimethyl-3,6,9,12,15,18-hexakis(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Other name (4)：
  • エンニアチンB
  • Enniatin B
  • N-Methylcyclo(L-Val-D-Hmb-N-methyl-L-Val-D-Hmb-N-methyl-L-Val-D-Hmb-)
  • (3S,6R,9S,12R,15S,18R)-3,6,9,12,15,18-Hexaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CAS registry number： 917-13-5
KEGG COMPOUND： C15740
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