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CHEBI:217393 - Microginin 680

ChEBI IDCHEBI:217393
ChEBI NameMicroginin 680
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42Cl2N4O8
Net Charge0
Average Mass681.614
Monoisotopic Mass680.23797
SMILESCN(C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(O)C(N)CCCCC(Cl)Cl)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C32H42Cl2N4O8/c1-37(26(18-20-10-14-22(40)15-11-20)31(44)38-16-4-6-25(38)32(45)46)30(43)24(17-19-8-12-21(39)13-9-19)36-29(42)28(41)23(35)5-2-3-7-27(33)34/h8-15,23-28,39-41H,2-7,16-18,35H2,1H3,(H,36,42)(H,45,46)/t23?,24-,25-,26-,28?/m0/s1
InChIKeyNGZPFBMYYAIAEL-SBMNFUEDSA-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 680 (CHEBI:217393) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S)-2-[(3-amino-8,8-dichloro-2-hydroxyoctanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
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78442715ChemSpider