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CHEBI:207355 - Tupuseleiamide A

ChEBI IDCHEBI:207355
ChEBI NameTupuseleiamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32N2O6
Net Charge0
Average Mass408.495
Monoisotopic Mass408.22604
SMILESCC(C)CCCCCC(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C21H32N2O6/c1-14(2)6-4-3-5-7-19(26)22-18(13-24)20(27)23-17(21(28)29)12-15-8-10-16(25)11-9-15/h8-11,14,17-18,24-25H,3-7,12-13H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)/t17-,18-/m1/s1
InChIKeyZYXAVYUAEZQKHJ-QZTJIDSGSA-N
Species of MetaboliteComponentSourceComments
Brevibacillus laterosporus (ncbitaxon:1465) - PubMed (12398541)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tupuseleiamide A (CHEBI:207355) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-[[(2R)-3-hydroxy-2-(7-methyloctanoylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
9113668ChemSpider