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CHEBI:222306 - WF-10129

ChEBI IDCHEBI:222306
ChEBI NameWF-10129
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N2O8
Net Charge0
Average Mass424.450
Monoisotopic Mass424.18457
SMILESC[C@H](O)CCC(=O)C[C@H](N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O
InChIInChI=1S/C20H28N2O8/c1-11(23)3-6-15(25)10-17(20(29)30)21-12(2)18(26)22-16(19(27)28)9-13-4-7-14(24)8-5-13/h4-5,7-8,11-12,16-17,21,23-24H,3,6,9-10H2,1-2H3,(H,22,26)(H,27,28)(H,29,30)/t11-,12-,16-,17-/m0/s1
InChIKeyVOFCPUVKMIAYMR-SYWGBEHUSA-N
Species of MetaboliteComponentSourceComments
Doratomyces (ncbitaxon:186351) - PubMed (3034846)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
WF-10129 (CHEBI:222306) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,7S)-2-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-7-hydroxy-4-oxooctanoic acid
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2338684ChemSpider