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CHEBI:222010 - Anabaenopeptin 882

ChEBI IDCHEBI:222010
ChEBI NameAnabaenopeptin 882
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H62N8O9
Net Charge0
Average Mass883.060
Monoisotopic Mass882.46398
SMILESCCC(C)C1NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)NC)NC(=O)C(CCc2ccccc2)N(C)C1=O
InChIInChI=1S/C47H62N8O9/c1-5-30(2)40-45(61)55(4)38(25-24-31-17-9-6-10-18-31)44(60)51-36(29-39(56)48-3)43(59)50-35(27-32-19-11-7-12-20-32)41(57)49-26-16-15-23-34(42(58)54-40)52-47(64)53-37(46(62)63)28-33-21-13-8-14-22-33/h6-14,17-22,30,34-38,40H,5,15-16,23-29H2,1-4H3,(H,48,56)(H,49,57)(H,50,59)(H,51,60)(H,54,58)(H,62,63)(H2,52,53,64)
InChIKeyJVTHGOZICQCMEX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (26096276)
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 882 (CHEBI:222010) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[3-benzyl-12-butan-2-yl-10-methyl-6-[2-(methylamino)-2-oxoethyl]-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid