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CHEBI:208736 - 8'-Phosphoamicoumacin A

Default Structure
ChEBI IDCHEBI:208736
ChEBI Name8'-Phosphoamicoumacin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N3O10P
Net Charge0
Average Mass503.445
Monoisotopic Mass503.16688
SMILESCC(C)CC(NC(=O)C(OP(=O)(O)O)C(O)C(N)CC(N)=O)C1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C20H30N3O10P/c1-9(2)6-12(14-7-10-4-3-5-13(24)16(10)20(28)32-14)23-19(27)18(33-34(29,30)31)17(26)11(21)8-15(22)25/h3-5,9,11-12,14,17-18,24,26H,6-8,21H2,1-2H3,(H2,22,25)(H,23,27)(H2,29,30,31)
InChIKeyHOJHDNFGPGIISV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus pumilus (ncbitaxon:1408) - PubMed (18277000)
ChEBI Ontology
Outgoing Relation(s)
8'-Phosphoamicoumacin A (CHEBI:208736) has functional parent β-amino acid (CHEBI:33706)
8'-Phosphoamicoumacin A (CHEBI:208736) is a organonitrogen compound (CHEBI:35352)
8'-Phosphoamicoumacin A (CHEBI:208736) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[4,6-diamino-3-hydroxy-1-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-1,6-dioxohexan-2-yl] dihydrogen phosphate
Manual XrefsDatabases
78444137ChemSpider