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CHEBI:746929 - (2S)-2-amino-4-{2-amino-9-[(3S)-3-amino-3-carboxypropanoyl]-3-oxo-3H-phenoxazin-1-yl}-4-oxobutanoic acid dizwitterion

ChEBI IDCHEBI:746929
ChEBI Name(2S)-2-amino-4-{2-amino-9-[(3S)-3-amino-3-carboxypropanoyl]-3-oxo-3H-phenoxazin-1-yl}-4-oxobutanoic acid dizwitterion
Stars
Last Modified12 November 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H18N4O8
Net Charge0
Average Mass442.384
Monoisotopic Mass442.11246
SMILESNc1c(C(=O)C[C@H]([NH3+])C(=O)[O-])c2nc3c(C(=O)C[C@H]([NH3+])C(=O)[O-])cccc3oc-2cc1=O
InChIInChI=1S/C20H18N4O8/c21-8(19(28)29)4-10(25)7-2-1-3-13-17(7)24-18-14(32-13)6-12(27)16(23)15(18)11(26)5-9(22)20(30)31/h1-3,6,8-9H,4-5,21-23H2,(H,28,29)(H,30,31)/t8-,9-/m0/s1
InChIKeyNUMPPXZLCVGTEA-IUCAKERBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-amino-4-{2-amino-9-[(3S)-3-amino-3-carboxypropanoyl]-3-oxo-3H-phenoxazin-1-yl}-4-oxobutanoic acid dizwitterion (CHEBI:746929) is a amino-acid zwitterion (CHEBI:35238)
(2S)-2-amino-4-{2-amino-9-[(3S)-3-amino-3-carboxypropanoyl]-3-oxo-3H-phenoxazin-1-yl}-4-oxobutanoic acid dizwitterion (CHEBI:746929) is a phenoxazine (CHEBI:25970)
UniProt Name  Source
(2S)-2-amino-4-{2-amino-9-[(3S)-3-amino-3-carboxypropanoyl]-3-oxo-3H-phenoxazin-1-yl}-4-oxobutanoateUniProt
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CPD-24273MetaCyc
Citations