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CHEBI:45331 - 1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one

ChEBI IDCHEBI:45331
ChEBI Name1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one
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Last Modified20 June 2013
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FormulaC14H18N4O5
Net Charge0
Average Mass322.321
Monoisotopic Mass322.12772
SMILES[H]/N=C(/N([H])[H])N([H])c1c([H])c(C(=O)O[H])c([H])c([H])c1N1C(=O)C([H])([H])C([H])([H])C1(C([H])([H])O[H])C([H])([H])O[H]
InChIInChI=1S/C14H18N4O5/c15-13(16)17-9-5-8(12(22)23)1-2-10(9)18-11(21)3-4-14(18,6-19)7-20/h1-2,5,19-20H,3-4,6-7H2,(H,22,23)(H4,15,16,17)
InChIKeyIRNYFKBSAARAHR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45331) has functional parent benzoic acid (CHEBI:30746)
1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45331) is a guanidines (CHEBI:24436)
1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45331) is a pyrrolidin-2-ones (CHEBI:74223)
Synonym  Source
4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-carbamimidamidobenzoic acidPDBeChem
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