Chem
J-GLOBAL ID：200907050130383154   Nikkaji number：J692.915J

Microcystin LF

ミクロシスチンLF
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： C52H71N7O12
Molecular formula furigana： C52-H71-N7-O12
Molecular weight： 986.177
InChI： InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32?,33-,34+,38?,39+,40-,41?,42-,44?/m0/s1
InChI key： FEVBMCJUKWWWBT-IGKRQCAESA-N
SMILES： CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(\C)/C=C/C1NC(=O)C(Cc2ccccc2)NC(=O)[C@@H](C)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)C1C)C(=O)O)C(=O)O
Systematic name  (3)：
  • N-メチルシクロ[Dha-D-Ala-L-Leu-[(3S)-3-メチル-D-βAsp-]-L-Phe-2-メチル-3-[(1E,3E,5S,6S)-3,5-ジメチル-6-メトキシ-7-フェニルヘプタ-1,3-ジエン-1-イル]βAla-D-γGlu-]
  • (5R,8S,11R,12S,15S,22R)-15-ベンジル-18-[(1E,3E,5S,6S)-6-メトキシ-3,5-ジメチル-7-フェニルヘプタ-1,3-ジエン-1-イル]-1,5,12,19-テトラメチル-2-メチリデン-8-(2-メチルプロピル)-3,6,9,13,16,20,25-ヘプタオキソ-1,4,7,10,14,17,21-ヘプタアザシクロペンタコサン-11,22-ジカルボン酸
  • (5R,8S,11R,12S,15S,22R)-15-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
Other name (3)：
  • ミクロシスチンLF
  • Microcystin LF
  • N-Methylcyclo[Dha-D-Ala-L-Leu-[(3S)-3-methyl-D-βAsp-]-L-Phe-2-methyl-3-[(1E,3E,5S,6S)-3,5-dimethyl-6-methoxy-7-phenylhepta-1,3-dien-1-yl]βAla-D-γGlu-]
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM