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CHEBI:216618 - Amicoumacin B

Default Structure
ChEBI IDCHEBI:216618
ChEBI NameAmicoumacin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N2O9
Net Charge0
Average Mass442.465
Monoisotopic Mass442.19513
SMILESCC(C)C[C@H](NC(=O)[C@@H](O)C(O)C(N)CC(=O)O)C(O)Cc1cccc(O)c1C(=O)O
InChIInChI=1S/C20H30N2O9/c1-9(2)6-12(22-19(29)18(28)17(27)11(21)8-15(25)26)14(24)7-10-4-3-5-13(23)16(10)20(30)31/h3-5,9,11-12,14,17-18,23-24,27-28H,6-8,21H2,1-2H3,(H,22,29)(H,25,26)(H,30,31)/t11?,12-,14?,17?,18-/m0/s1
InChIKeyZVMJOYORHWNPCZ-MLXNOORUSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.1080/00021369.1982.10865491)
ChEBI Ontology
Outgoing Relation(s)
Amicoumacin B (CHEBI:216618) has functional parent β-amino acid (CHEBI:33706)
Amicoumacin B (CHEBI:216618) is a organonitrogen compound (CHEBI:35352)
Amicoumacin B (CHEBI:216618) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(3S)-3-[[(2S)-4-amino-5-carboxy-2,3-dihydroxypentanoyl]amino]-2-hydroxy-5-methylhexyl]-6-hydroxybenzoic acid
Manual XrefsDatabases
78445196ChemSpider