CHEBI:208736 - 8'-Phosphoamicoumacin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8'-Phosphoamicoumacin A
ChEBI ID CHEBI:208736
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C20H30N3O10P
Net Charge 0
Average Mass 503.445
Monoisotopic Mass 503.16688
InChI InChI=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)
InChIKey HOJHDNFGPGIISV-UHFFFAOYSA-N
SMILES P(=O)(OC(C(=O)NC(C1OC(=O)C=2C(O)=CC=CC2C1)CC(C)C)C(O)C(N)CC(=O)N)(O)O
Metabolite of Species Details
Bacillus pumilus (NCBI:txid1408) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78444137 ChemSpider
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