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CHEBI:221501 - Anabaenopeptin D

ChEBI IDCHEBI:221501
ChEBI NameAnabaenopeptin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H57N7O9
Net Charge0
Average Mass827.980
Monoisotopic Mass827.42178
SMILESCC(C)C1NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C(=O)C(CCc2ccc(O)cc2)NC1=O
InChIInChI=1S/C44H57N7O9/c1-27(2)37-41(56)46-34(23-20-29-18-21-32(52)22-19-29)42(57)51(4)28(3)38(53)47-35(25-30-13-7-5-8-14-30)39(54)45-24-12-11-17-33(40(55)50-37)48-44(60)49-36(43(58)59)26-31-15-9-6-10-16-31/h5-10,13-16,18-19,21-22,27-28,33-37,52H,11-12,17,20,23-26H2,1-4H3,(H,45,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H2,48,49,60)
InChIKeyROZAAMMJQDDESR-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 D (CHEBI:221501) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid