EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222151 - Microginin 771

ChEBI IDCHEBI:222151
ChEBI NameMicroginin 771
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H61N5O10
Net Charge0
Average Mass771.953
Monoisotopic Mass771.44184
SMILESCCCCCCCC(N)C(O)C(=O)NC(C(=O)N(C)C(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)O)C(C)O
InChIInChI=1S/C40H61N5O10/c1-7-8-9-10-11-12-30(41)35(49)37(51)43-34(25(4)46)39(53)44(5)32(21-24(2)3)36(50)42-31(22-26-13-17-28(47)18-14-26)38(52)45(6)33(40(54)55)23-27-15-19-29(48)20-16-27/h13-20,24-25,30-35,46-49H,7-12,21-23,41H2,1-6H3,(H,42,50)(H,43,51)(H,54,55)
InChIKeyGUHPNOXZROGUDU-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 771 (CHEBI:222151) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoic acid