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CHEBI:131920 - isonocardicin C dizwitterion

ChEBI IDCHEBI:131920
ChEBI Nameisonocardicin C dizwitterion
Stars
DefinitionAn α-amino acid zwitterion resulting from a transfer of two protons from the carboxy groups to the amino groups of isonocardicin C; major species at pH 7.3.
Last Modified21 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H26N4O8
Net Charge0
Average Mass486.481
Monoisotopic Mass486.17506
SMILES[NH3+][C@@H](CCOc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CN([C@@H](C(=O)[O-])c3ccc(O)cc3)C2=O)cc1)C(=O)[O-]
InChIInChI=1S/C23H26N4O8/c24-16(22(31)32)9-10-35-15-7-3-12(4-8-15)18(25)20(29)26-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24-25H2,(H,26,29)(H,31,32)(H,33,34)/t16-,17-,18+,19+/m0/s1
InChIKeyCWTCWGGPTVMMLT-INDMIFKZSA-N
ChEBI Ontology
Outgoing Relation(s)
isonocardicin C dizwitterion (CHEBI:131920) is a α-amino-acid zwitterion (CHEBI:78608)
isonocardicin C dizwitterion (CHEBI:131920) is tautomer of isonocardicin C (CHEBI:81022)
Incoming Relation(s)
isonocardicin C (CHEBI:81022) is tautomer of isonocardicin C dizwitterion (CHEBI:131920)
IUPAC Name 
(2S)-2-azaniumyl-4-{4-[(1R)-1-azaniumyl-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-2-oxoethyl]phenoxy}butanoate
UniProt Name  Source
isonocardicin CUniProt
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