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CHEBI:182020 - [(2S,3S,4S)-4,6-Diamino-3-hydroxy-1-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-1,6-dioxohexan-2-yl] dihydrogen phosphate

ChEBI IDCHEBI:182020
ChEBI Name[(2S,3S,4S)-4,6-Diamino-3-hydroxy-1-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-1,6-dioxohexan-2-yl] dihydrogen phosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N3O10P
Net Charge0
Average Mass503.445
Monoisotopic Mass503.16688
SMILES[H][C@@]1([C@H](CC(C)C)NC(=O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](N)CC(N)=O)Cc2cccc(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)/t11-,12-,14-,17-,18-/m0/s1
InChIKeyHOJHDNFGPGIISV-YKRRISCLSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,3S,4S)-4,6-Diamino-3-hydroxy-1-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-1,6-dioxohexan-2-yl] dihydrogen phosphate (CHEBI:182020) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
[(2S,3S,4S)-4,6-diamino-3-hydroxy-1-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-1,6-dioxohexan-2-yl] dihydrogen phosphate
Manual XrefsDatabases
C22232KEGG COMPOUND