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CHEBI:221347 - Anabaenopeptin 905

ChEBI IDCHEBI:221347
ChEBI NameAnabaenopeptin 905
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H67N11O9
Net Charge0
Average Mass906.099
Monoisotopic Mass905.51232
SMILESCCC(C)C1NC(=O)C(NC(=O)NC(CCCN=C(N)N)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)N(C)C(=O)C(CCc2ccccc2)N(CC)C1=O
InChIInChI=1S/C45H67N11O9/c1-5-28(3)37-42(62)56(6-2)34(23-22-29-16-9-7-10-17-29)41(61)55(4)35(27-36(46)57)40(60)51-33(26-30-18-11-8-12-19-30)38(58)49-24-14-13-20-31(39(59)54-37)52-45(65)53-32(43(63)64)21-15-25-50-44(47)48/h7-12,16-19,28,31-35,37H,5-6,13-15,20-27H2,1-4H3,(H2,46,57)(H,49,58)(H,51,60)(H,54,59)(H,63,64)(H4,47,48,50)(H2,52,53,65)
InChIKeyVHBIGUIDSRLROD-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 905 (CHEBI:221347) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[6-(2-amino-2-oxoethyl)-3-benzyl-12-butan-2-yl-10-ethyl-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid