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CHEBI:213801 - Microginin KR781

ChEBI IDCHEBI:213801
ChEBI NameMicroginin KR781
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H63N5O9
Net Charge0
Average Mass781.992
Monoisotopic Mass781.46258
SMILESCCCCCCC[C@@H](NC)[C@@H](O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C42H63N5O9/c1-7-8-9-10-11-13-32(43-4)37(50)39(52)44-33(25-28-15-19-30(48)20-16-28)40(53)46(5)36(24-27(2)3)41(54)47-23-12-14-35(47)38(51)45-34(42(55)56-6)26-29-17-21-31(49)22-18-29/h15-22,27,32-37,43,48-50H,7-14,23-26H2,1-6H3,(H,44,52)(H,45,51)/t32-,33+,34+,35+,36+,37-/m1/s1
InChIKeyFSQHYAPXIVZVRY-OBWIRWOGSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - PubMed (29498640)
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 KR781 (CHEBI:213801) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R,3R)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate