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CHEBI:213856 - Microginin KR604

ChEBI IDCHEBI:213856
ChEBI NameMicroginin KR604
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52N4O7
Net Charge0
Average Mass604.789
Monoisotopic Mass604.38360
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)O
InChIInChI=1S/C32H52N4O7/c1-6-7-8-9-10-12-24(33-4)28(38)29(39)34-25(20-22-14-16-23(37)17-15-22)30(40)35(5)27(19-21(2)3)31(41)36-18-11-13-26(36)32(42)43/h14-17,21,24-28,33,37-38H,6-13,18-20H2,1-5H3,(H,34,39)(H,42,43)/t24-,25+,26-,27-,28-/m0/s1
InChIKeyGPDYVBKEQKRQEM-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 KR604 (CHEBI:213856) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid