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CHEBI:214825 - Microginin FR5

ChEBI IDCHEBI:214825
ChEBI NameMicroginin FR5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H55N5O9
Net Charge0
Average Mass725.884
Monoisotopic Mass725.39998
SMILESCCCCCCCC(N)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/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
InChIKeyKXRLIMLXCPEJPD-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 FR5 (CHEBI:214825) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid