EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221088 - Aeruginosamide C

ChEBI IDCHEBI:221088
ChEBI NameAeruginosamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H47N5O5S
Net Charge0
Average Mass673.880
Monoisotopic Mass673.32979
SMILESC=CC(C)(C)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ncc(C(=O)OC)s1)C(C)C
InChIInChI=1S/C37H47N5O5S/c1-7-37(4,5)41-27(21-25-15-10-8-11-16-25)32(43)39-28(22-26-17-12-9-13-18-26)35(45)42-20-14-19-29(42)33(44)40-31(24(2)3)34-38-23-30(48-34)36(46)47-6/h7-13,15-18,23-24,27-29,31,41H,1,14,19-22H2,2-6H3,(H,39,43)(H,40,44)/t27-,28-,29-,31+/m0/s1
InChIKeyJOGGBCLHHSIJBJ-MGUFQOSJSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa PCC 9432 (ncbitaxon:1160280) - PubMed (23911585)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aeruginosamide C (CHEBI:221088) is a peptide (CHEBI:16670)
IUPAC Name 
methyl 2-[(1R)-2-methyl-1-[[(2S)-1-[(2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propyl]-1,3-thiazole-5-carboxylate