Microcystin LF

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Systematic / IUPAC Name: (5R,8S,11R,12S,15S,18S,19S,22R)-15-Benzyl-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid

ID: Reference3376

Other Names: MCYST-LF;
Algae bloom standard

Formula: C52H71N7O12

Class: Endogenous Metabolites Natural Toxins

Spectral Data

Microcystin LF mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 105
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/18/2015 1:33:39 PM
View Mass Spec Data > >

Identificators

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-QVWKUIOOSA-N
Canonical SMILES
CAS 154037704
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Other Names MCYST-LF;
Algae bloom standard

In Other Databases

Wikipedia Microcystin
ChemSpider 21395875
PubChem 16760563