EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222260 - Microginin 620A

ChEBI IDCHEBI:222260
ChEBI NameMicroginin 620A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56N4O7
Net Charge0
Average Mass620.832
Monoisotopic Mass620.41490
SMILESCCCCCCCC(NC)C(O)C(=O)NC(C(=O)N(C)C(CC(C)C)C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)O)C(C)C
InChIInChI=1S/C33H56N4O7/c1-9-10-11-12-13-14-25(34-6)29(39)30(40)35-28(22(4)5)32(42)36(7)26(19-21(2)3)31(41)37(8)27(33(43)44)20-23-15-17-24(38)18-16-23/h15-18,21-22,25-29,34,38-39H,9-14,19-20H2,1-8H3,(H,35,40)(H,43,44)
InChIKeyBVOBIHWGOVWVCP-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 620A (CHEBI:222260) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoic acid