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CHEBI:213807 - Microginin KR815

ChEBI IDCHEBI:213807
ChEBI NameMicroginin KR815
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H62ClN5O9
Net Charge0
Average Mass816.437
Monoisotopic Mass815.42361
SMILESCN[C@H](CCCCCCCCl)[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/C42H62ClN5O9/c1-27(2)24-36(41(55)48-23-11-13-35(48)38(52)46-34(42(56)57-5)26-29-16-20-31(50)21-17-29)47(4)40(54)33(25-28-14-18-30(49)19-15-28)45-39(53)37(51)32(44-3)12-9-7-6-8-10-22-43/h14-21,27,32-37,44,49-51H,6-13,22-26H2,1-5H3,(H,45,53)(H,46,52)/t32-,33+,34+,35+,36+,37-/m1/s1
InChIKeyBCSACAJIXMDUHU-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 KR815 (CHEBI:213807) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R,3R)-10-chloro-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate