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CHEBI:225132 - Anabaenopeptin MM823

ChEBI IDCHEBI:225132
ChEBI NameAnabaenopeptin MM823
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H57N7O11
Net Charge0
Average Mass823.945
Monoisotopic Mass823.41161
SMILESCOC(=O)CC[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O)C(=O)O
InChIInChI=1S/C41H57N7O11/c1-24(2)34-38(54)43-30(19-16-26-14-17-28(49)18-15-26)39(55)48(4)25(3)35(51)44-32(23-27-11-7-6-8-12-27)36(52)42-22-10-9-13-29(37(53)47-34)45-41(58)46-31(40(56)57)20-21-33(50)59-5/h6-8,11-12,14-15,17-18,24-25,29-32,34,49H,9-10,13,16,19-23H2,1-5H3,(H,42,52)(H,43,54)(H,44,51)(H,47,53)(H,56,57)(H2,45,46,58)/t25-,29+,30-,31-,32-,34-/m0/s1
InChIKeyQMUCUTCRZSDMAY-XIGBBYMNSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2010.09.067)
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 MM823 (CHEBI:225132) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(3S,6S,9S,12S,15R)-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]-5-methoxy-5-oxopentanoic acid
Manual XrefsDatabases
78438305ChemSpider