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CHEBI:188720 - namalide

ChEBI IDCHEBI:188720
ChEBI Namenamalide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H41N5O6
Net Charge0
Average Mass579.698
Monoisotopic Mass579.30568
SMILES[H][C@@]1([C@@H](C)CC)NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C31H41N5O6/c1-3-20(2)26-29(39)33-24(18-21-12-6-4-7-13-21)27(37)32-17-11-10-16-23(28(38)36-26)34-31(42)35-25(30(40)41)19-22-14-8-5-9-15-22/h4-9,12-15,20,23-26H,3,10-11,16-19H2,1-2H3,(H,32,37)(H,33,39)(H,36,38)(H,40,41)(H2,34,35,42)/t20-,23+,24-,25-,26-/m0/s1
InChIKeyRQGNHTKSTALCHU-SSKCBDBQSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
namalide (CHEBI:188720) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(3S,6S,9R)-3-benzyl-6-[(2S)-butan-2-yl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
28184992ChemSpider