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CHEBI:214812 - Microginin FR6

ChEBI IDCHEBI:214812
ChEBI NameMicroginin FR6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H57N5O9
Net Charge0
Average Mass739.911
Monoisotopic Mass739.41563
SMILESCCCCCCCC(NC)C(O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)C
InChIInChI=1S/C39H57N5O9/c1-5-6-7-8-9-11-29(40-4)34(47)37(50)43-33(24(2)3)38(51)44-21-10-12-32(44)36(49)41-30(22-25-13-17-27(45)18-14-25)35(48)42-31(39(52)53)23-26-15-19-28(46)20-16-26/h13-20,24,29-34,40,45-47H,5-12,21-23H2,1-4H3,(H,41,49)(H,42,48)(H,43,50)(H,52,53)
InChIKeyNJWZGPDFAVDNQA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - PubMed (16678305)
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 FR6 (CHEBI:214812) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[1-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid