EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221426 - Anabaenopeptin 816

ChEBI IDCHEBI:221426
ChEBI NameAnabaenopeptin 816
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60N8O8
Net Charge0
Average Mass817.001
Monoisotopic Mass816.45341
SMILESCC(C)C[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O)C(=O)O
InChIInChI=1S/C43H60N8O8/c1-25(2)20-33-40(55)48-35(23-29-24-45-31-17-11-10-16-30(29)31)41(56)51(6)27(5)37(52)46-34(22-28-14-8-7-9-15-28)38(53)44-19-13-12-18-32(39(54)47-33)49-43(59)50-36(42(57)58)21-26(3)4/h7-11,14-17,24-27,32-36,45H,12-13,18-23H2,1-6H3,(H,44,53)(H,46,52)(H,47,54)(H,48,55)(H,57,58)(H2,49,50,59)/t27-,32-,33-,34-,35-,36+/m1/s1
InChIKeyAPRDGVVSRUXGCI-MTQSWRERSA-N
Species of MetaboliteComponentSourceComments
Brasilonemaspecies CT11 (ncbitaxon:2748322) - PubMed (32825321)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anabaenopeptin 816 (CHEBI:221426) is a oligopeptide (CHEBI:25676)