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CHEBI:220722 - 8'-Phosphoamicoumacin B

Default Structure
ChEBI IDCHEBI:220722
ChEBI Name8'-Phosphoamicoumacin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29N2O11P
Net Charge0
Average Mass504.429
Monoisotopic Mass504.15090
SMILESCC(C)CC(NC(=O)C(OP(=O)(O)O)C(O)C(N)CC(=O)O)C1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C20H29N2O11P/c1-9(2)6-12(14-7-10-4-3-5-13(23)16(10)20(28)32-14)22-19(27)18(33-34(29,30)31)17(26)11(21)8-15(24)25/h3-5,9,11-12,14,17-18,23,26H,6-8,21H2,1-2H3,(H,22,27)(H,24,25)(H2,29,30,31)
InChIKeyNLUHYUXAIVNNFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus pumilus (ncbitaxon:1408) - PubMed (18277000)
ChEBI Ontology
Outgoing Relation(s)
8'-Phosphoamicoumacin B (CHEBI:220722) has functional parent β-amino acid (CHEBI:33706)
8'-Phosphoamicoumacin B (CHEBI:220722) is a organonitrogen compound (CHEBI:35352)
8'-Phosphoamicoumacin B (CHEBI:220722) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-amino-4-hydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxo-5-phosphonooxyhexanoic acid
Manual XrefsDatabases
78444330ChemSpider