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CHEBI:188834 - Tyropeptin A

ChEBI IDCHEBI:188834
ChEBI NameTyropeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37N3O6
Net Charge0
Average Mass511.619
Monoisotopic Mass511.26824
SMILESCC(C)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NC(C=O)Cc1ccc(O)cc1)C(C)C
InChIInChI=1S/C28H37N3O6/c1-17(2)13-25(35)30-24(15-20-7-11-23(34)12-8-20)27(36)31-26(18(3)4)28(37)29-21(16-32)14-19-5-9-22(33)10-6-19/h5-12,16-18,21,24,26,33-34H,13-15H2,1-4H3,(H,29,37)(H,30,35)(H,31,36)/t21?,24-,26-/m0/s1
InChIKeyOSMJFYFZOAVCNP-KLZDYHPHSA-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)
Tyropeptin A (CHEBI:188834) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-3-methylbutanamide
Manual XrefsDatabases
9908676ChemSpider