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CHEBI:221508 - Anabaenopeptin 807

ChEBI IDCHEBI:221508
ChEBI NameAnabaenopeptin 807
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H61N7O9
Net Charge0
Average Mass807.990
Monoisotopic Mass807.45308
SMILESCCC(C)C(NC(=O)NC1CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C(=O)C(CCc2ccc(O)cc2)NC(=O)C(C(C)CC)NC1=O)C(=O)O
InChIInChI=1S/C42H61N7O9/c1-7-25(3)34-39(54)44-32(22-19-28-17-20-30(50)21-18-28)40(55)49(6)27(5)36(51)45-33(24-29-14-10-9-11-15-29)37(52)43-23-13-12-16-31(38(53)47-34)46-42(58)48-35(41(56)57)26(4)8-2/h9-11,14-15,17-18,20-21,25-27,31-35,50H,7-8,12-13,16,19,22-24H2,1-6H3,(H,43,52)(H,44,54)(H,45,51)(H,47,53)(H,56,57)(H2,46,48,58)
InChIKeyDOYBAFJOBDCILF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - PubMed (27834904)
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 807 (CHEBI:221508) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[3-benzyl-12-butan-2-yl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid