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CHEBI:199241 - JBIR-34

ChEBI IDCHEBI:199241
ChEBI NameJBIR-34
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SubmitterMetaboLights
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FormulaC21H25ClN4O7
Net Charge0
Average Mass480.905
Monoisotopic Mass480.14118
SMILESCc1c(Cl)cc2c(c(C3=N[C@@](C)(C(=O)N[C@H](C)C(=O)N[C@@H](CO)C(=O)O)CO3)cn2C)c1O
InChIInChI=1S/C21H25ClN4O7/c1-9-12(22)5-14-15(16(9)28)11(6-26(14)4)18-25-21(3,8-33-18)20(32)23-10(2)17(29)24-13(7-27)19(30)31/h5-6,10,13,27-28H,7-8H2,1-4H3,(H,23,32)(H,24,29)(H,30,31)/t10-,13+,21-/m1/s1
InChIKeyOTAMFIXIIUUMKV-JGMWFTNYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies Sp080513GE-23 (ncbitaxon:630397) - PubMed (20146504)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
JBIR-34 (CHEBI:199241) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(4R)-2-(6-chloro-4-hydroxy-1,5-dimethylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
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