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CHEBI:198837 - Anabaenopeptin NZ825

ChEBI IDCHEBI:198837
ChEBI NameAnabaenopeptin NZ825
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H59N7O8
Net Charge0
Average Mass826.008
Monoisotopic Mass825.44251
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](CCc2ccccc2)NC(=O)CN(C)C(=O)[C@H](CCc2ccccc2)NC1=O
InChIInChI=1S/C45H59N7O8/c1-4-30(2)39-42(56)48-36(26-24-32-18-10-6-11-19-32)43(57)52(3)29-38(53)47-35(25-23-31-16-8-5-9-17-31)40(54)46-27-15-14-22-34(41(55)51-39)49-45(60)50-37(44(58)59)28-33-20-12-7-13-21-33/h5-13,16-21,30,34-37,39H,4,14-15,22-29H2,1-3H3,(H,46,54)(H,47,53)(H,48,56)(H,51,55)(H,58,59)(H2,49,50,60)/t30-,34+,35-,36-,37-,39-/m0/s1
InChIKeyZGGULPKYNHMDEV-YSWQSDMFSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/j.tet.2008.08.015)
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 NZ825 (CHEBI:198837) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(3S,9S,12S,15R)-12-[(2S)-butan-2-yl]-7-methyl-2,5,8,11,14-pentaoxo-3,9-bis(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
78436412ChemSpider