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CHEBI:207112 - Microginin 612

ChEBI IDCHEBI:207112
ChEBI NameMicroginin 612
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44N4O8
Net Charge0
Average Mass612.724
Monoisotopic Mass612.31591
SMILESCCCCCC(N)C(O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C32H44N4O8/c1-3-4-5-7-24(33)28(39)29(40)34-25(18-20-9-13-22(37)14-10-20)30(41)35(2)27(19-21-11-15-23(38)16-12-21)31(42)36-17-6-8-26(36)32(43)44/h9-16,24-28,37-39H,3-8,17-19,33H2,1-2H3,(H,34,40)(H,43,44)/t24?,25-,26-,27-,28?/m0/s1
InChIKeyDPIAGPAEHFCIAF-ALRLVZQXSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1016/j.tetlet.2016.03.039)
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 612 (CHEBI:207112) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S)-2-[(3-amino-2-hydroxyoctanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
78442616ChemSpider