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CHEBI:221387 - Anabaenopeptin 877a

ChEBI IDCHEBI:221387
ChEBI NameAnabaenopeptin 877a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H63N11O9
Net Charge0
Average Mass878.045
Monoisotopic Mass877.48102
SMILESCCC(C)C1NC(=O)C(NC(=O)NC(CCCN=C(N)N)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)NC)NC(=O)C(CCc2ccccc2)NC1=O
InChIInChI=1S/C43H63N11O9/c1-4-26(2)35-40(60)49-30(21-20-27-14-7-5-8-15-27)37(57)51-33(25-34(55)46-3)39(59)50-32(24-28-16-9-6-10-17-28)36(56)47-22-12-11-18-29(38(58)54-35)52-43(63)53-31(41(61)62)19-13-23-48-42(44)45/h5-10,14-17,26,29-33,35H,4,11-13,18-25H2,1-3H3,(H,46,55)(H,47,56)(H,49,60)(H,50,59)(H,51,57)(H,54,58)(H,61,62)(H4,44,45,48)(H2,52,53,63)
InChIKeyKEYICRLKLZSNGH-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)
Anabaenopeptin 877a (CHEBI:221387) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[3-benzyl-12-butan-2-yl-6-[2-(methylamino)-2-oxoethyl]-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid