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CHEBI:208071 - JBIR-35

ChEBI IDCHEBI:208071
ChEBI NameJBIR-35
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23ClN4O7
Net Charge0
Average Mass466.878
Monoisotopic Mass466.12553
SMILESC[C@@H](NC(=O)[C@@]1(C)COC(c2cn(C)c3cc(Cl)cc(O)c23)=N1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C20H23ClN4O7/c1-9(16(28)23-12(7-26)18(29)30)22-19(31)20(2)8-32-17(24-20)11-6-25(3)13-4-10(21)5-14(27)15(11)13/h4-6,9,12,26-27H,7-8H2,1-3H3,(H,22,31)(H,23,28)(H,29,30)/t9-,12+,20-/m1/s1
InChIKeyNKNDHRJPCHKCQG-GNGCRJPWSA-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-35 (CHEBI:208071) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(4R)-2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
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