EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222174 - Microginin 791

ChEBI IDCHEBI:222174
ChEBI NameMicroginin 791
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H58ClN5O10
Net Charge0
Average Mass792.371
Monoisotopic Mass791.38722
SMILESCC(C)CC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)N(C)C(=O)C(NC(=O)C(O)C(N)CCCCCCCCl)C(C)O
InChIInChI=1S/C39H58ClN5O10/c1-23(2)20-32(45(4)38(53)33(24(3)46)44-37(52)34(49)29(41)10-8-6-5-7-9-19-40)36(51)42-30(21-25-11-15-27(47)16-12-25)35(50)43-31(39(54)55)22-26-13-17-28(48)18-14-26/h11-18,23-24,29-34,46-49H,5-10,19-22,41H2,1-4H3,(H,42,51)(H,43,50)(H,44,52)(H,54,55)
InChIKeyBPQYLQCHIXXZQB-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 791 (CHEBI:222174) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid