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CHEBI:220632 - Bacillopaline

ChEBI IDCHEBI:220632
ChEBI NameBacillopaline
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22N4O8
Net Charge0
Average Mass386.361
Monoisotopic Mass386.14376
SMILESO=C(O)CCC(NC(CCNC(Cc1cncn1)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C15H22N4O8/c20-12(21)2-1-9(13(22)23)19-10(14(24)25)3-4-17-11(15(26)27)5-8-6-16-7-18-8/h6-7,9-11,17,19H,1-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyRLSXUJSGKUUKFH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paenibacillus mucilaginosus (ncbitaxon:61624) - PubMed (31300464)
ChEBI Ontology
Outgoing Relation(s)
Bacillopaline (CHEBI:220632) is a histidine derivative (CHEBI:24599)
IUPAC Name 
2-[[1-carboxy-3-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]propyl]amino]pentanedioic acid