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CHEBI:213812 - Microginin KR767

ChEBI IDCHEBI:213812
ChEBI NameMicroginin KR767
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H61N5O9
Net Charge0
Average Mass767.965
Monoisotopic Mass767.44693
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)O
InChIInChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
InChIKeyPUNOWWCAVNLVNA-VBBYNRSSSA-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 KR767 (CHEBI:213812) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid