CHEBI:29044 - 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate

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ChEBI Name 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate ChEBI ID CHEBI:29044 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11504, CHEBI:11505, CHEBI:16328, CHEBI:19447 Supplier Information ZINC000004096448 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H5NO5 Net Charge -2 Average Mass 183.11834 Monoisotopic Mass 183.01787 InChI InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-2 InChIKey KACPVQQHDVBVFC-UHFFFAOYSA-L SMILES [H]C(=O)C([H])=C([H])C(C([O-])=O)=C(N)C([O-])=O Metabolite of Species Details Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Roles Classification Biological Role(s): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). View more via ChEBI Ontology ChEBI Ontology Outgoing 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) is a α-amino-acid anion (CHEBI:33558) 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) is a oxo dicarboxylate (CHEBI:36147) 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) is conjugate base of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) is conjugate base of 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77803) Incoming cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:994) is a 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:19448) is conjugate acid of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1−) (CHEBI:77803) is conjugate acid of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:29044) IUPAC Name 2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate Last Modified 21 January 2016

General Comments 2005-03-18 The substituent name '3-oxoprop-2-enyl' is incorrect but is used in various databases. 2005-03-18 The naturally occurring compound is the cis,cis isomer: (2Z)-2-amino-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioate.