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CHEBI:224939 - Tupuseleiamide B

ChEBI IDCHEBI:224939
ChEBI NameTupuseleiamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32N2O6
Net Charge0
Average Mass408.495
Monoisotopic Mass408.22604
SMILESCCC(C)CCCCC(=O)N[C@H](CO)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C21H32N2O6/c1-3-14(2)6-4-5-7-19(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)/t14?,17-,18-/m1/s1
InChIKeyFBYUEJHPHPDFPG-KNHHTTPFSA-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 B (CHEBI:224939) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-[[(2R)-3-hydroxy-2-(6-methyloctanoylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
9907012ChemSpider