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CHEBI:222662 - Chlorocardicin

ChEBI IDCHEBI:222662
ChEBI NameChlorocardicin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23ClN4O9
Net Charge0
Average Mass534.909
Monoisotopic Mass534.11536
SMILESN[C@H](CCOc1ccc(/C(=N\O)C(=O)N[C@H]2CN([C@@H](C(=O)O)c3ccc(O)c(Cl)c3)C2=O)cc1)C(=O)O
InChIInChI=1S/C23H23ClN4O9/c24-14-9-12(3-6-17(14)29)19(23(34)35)28-10-16(21(28)31)26-20(30)18(27-36)11-1-4-13(5-2-11)37-8-7-15(25)22(32)33/h1-6,9,15-16,19,29,36H,7-8,10,25H2,(H,26,30)(H,32,33)(H,34,35)/b27-18+/t15-,16+,19-/m1/s1
InChIKeyUMDAIHWMUXNVSB-IMUCLJOZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (3838979)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chlorocardicin (CHEBI:222662) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-amino-4-[4-[(E)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid
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