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CHEBI:213860 - Microginin KR638

ChEBI IDCHEBI:213860
ChEBI NameMicroginin KR638
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H51ClN4O7
Net Charge0
Average Mass639.234
Monoisotopic Mass638.34463
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)O
InChIInChI=1S/C32H51ClN4O7/c1-21(2)19-27(31(42)37-18-10-12-26(37)32(43)44)36(4)30(41)25(20-22-13-15-23(38)16-14-22)35-29(40)28(39)24(34-3)11-8-6-5-7-9-17-33/h13-16,21,24-28,34,38-39H,5-12,17-20H2,1-4H3,(H,35,40)(H,43,44)/t24-,25+,26-,27-,28-/m0/s1
InChIKeyXKHYSDRFYVFNEQ-IXSXPGEMSA-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 KR638 (CHEBI:213860) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-10-chloro-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid