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CHEBI:214818 - Microginin FR9

ChEBI IDCHEBI:214818
ChEBI NameMicroginin FR9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H54N6O9
Net Charge0
Average Mass750.894
Monoisotopic Mass750.39523
SMILESCCCCCCCC(N)C(O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cc2ccccc2n1)C(=O)O)C(C)O
InChIInChI=1S/C39H54N6O9/c1-3-4-5-6-7-12-28(40)34(48)37(51)44-33(23(2)46)38(52)45-19-10-14-32(45)36(50)42-30(20-24-15-17-27(47)18-16-24)35(49)43-31(39(53)54)22-26-21-25-11-8-9-13-29(25)41-26/h8-9,11,13,15-18,21,23,28,30-34,41,46-48H,3-7,10,12,14,19-20,22,40H2,1-2H3,(H,42,50)(H,43,49)(H,44,51)(H,53,54)
InChIKeyMCMDDENRFTYQNV-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 FR9 (CHEBI:214818) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-2-yl)propanoic acid