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CHEBI:188831 - amamistatin B

ChEBI IDCHEBI:188831
ChEBI Nameamamistatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H53N5O10
Net Charge0
Average Mass715.845
Monoisotopic Mass715.37924
SMILESCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C=O)NC(=O)c1nc(-c2ccccc2O)oc1C)C(C)(C)C(=O)N[C@H]1CCCCN(O)C1=O
InChIInChI=1S/C36H53N5O10/c1-5-6-7-8-9-20-29(36(3,4)35(47)38-26-17-13-15-22-41(49)33(26)45)51-34(46)27(18-12-14-21-40(48)23-42)37-31(44)30-24(2)50-32(39-30)25-16-10-11-19-28(25)43/h10-11,16,19,23,26-27,29,43,48-49H,5-9,12-15,17-18,20-22H2,1-4H3,(H,37,44)(H,38,47)/t26-,27+,29-/m0/s1
InChIKeyZCNZVZVNVGHAHB-GKRYNVPLSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
amamistatin B (CHEBI:188831) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(3S)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[ormyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
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