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CHEBI:220413 - Gaburedin A

ChEBI IDCHEBI:220413
ChEBI NameGaburedin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N2O5
Net Charge0
Average Mass294.307
Monoisotopic Mass294.12157
SMILESO=C(O)CCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c17-12(18)7-4-8-15-14(21)16-11(13(19)20)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,18)(H,19,20)(H2,15,16,21)/t11-/m0/s1
InChIKeySXJDRCVQKGQHOW-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Streptomyces venezuelae ATCC 10712 (ncbitaxon:953739) - DOI (10.1039/c3sc52536h)
ChEBI Ontology
Outgoing Relation(s)
Gaburedin A (CHEBI:220413) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
4-[[(1S)-1-carboxy-2-phenylethyl]carbamoylamino]butanoic acid