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CHEBI:222307 - Microginin 590B

ChEBI IDCHEBI:222307
ChEBI NameMicroginin 590B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50N4O7
Net Charge0
Average Mass590.762
Monoisotopic Mass590.36795
SMILESCCCCCCCC(N)C(O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N(C)C(CC(C)C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C31H50N4O7/c1-5-6-7-8-9-11-23(32)27(37)28(38)33-24(19-21-13-15-22(36)16-14-21)29(39)34(4)26(18-20(2)3)30(40)35-17-10-12-25(35)31(41)42/h13-16,20,23-27,36-37H,5-12,17-19,32H2,1-4H3,(H,33,38)(H,41,42)
InChIKeyKYDXAZLZVXVQPG-UHFFFAOYSA-N
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 590B (CHEBI:222307) is a peptide (CHEBI:16670)
IUPAC Name 
1-[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid