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CHEBI:200149 - Microginin 645

ChEBI IDCHEBI:200149
ChEBI NameMicroginin 645
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43ClN4O8
Net Charge0
Average Mass647.169
Monoisotopic Mass646.27694
SMILESCN(C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(O)C(N)CCCCCCl)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C32H43ClN4O8/c1-36(27(19-21-10-14-23(39)15-11-21)31(43)37-17-5-7-26(37)32(44)45)30(42)25(18-20-8-12-22(38)13-9-20)35-29(41)28(40)24(34)6-3-2-4-16-33/h8-15,24-28,38-40H,2-7,16-19,34H2,1H3,(H,35,41)(H,44,45)/t24?,25-,26-,27-,28?/m0/s1
InChIKeyZLZNALHCFDVNII-ALRLVZQXSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1016/j.tetlet.2016.03.039)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microginin 645 (CHEBI:200149) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S)-2-[(3-amino-8-chloro-2-hydroxyoctanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
78442501ChemSpider