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CHEBI:29995 - aspartate(2−)

Default Structure
ChEBI IDCHEBI:29995
ChEBI Nameaspartate(2−)
Stars
ASCII Nameaspartate(2-)
DefinitionA C4-dicarboxylate that is the dianion obtained by the deprotonation of both the carboxy groups of aspartic acid.
Last Modified8 August 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H5NO4
Net Charge-2
Average Mass131.087
Monoisotopic Mass131.02295
SMILESNC(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2
InChIKeyCKLJMWTZIZZHCS-UHFFFAOYSA-L
Roles Classification
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
aspartate(2−) (CHEBI:29995) has role fundamental metabolite (CHEBI:78675)
aspartate(2−) (CHEBI:29995) is a aspartate (CHEBI:132943)
aspartate(2−) (CHEBI:29995) is a C4-dicarboxylate (CHEBI:61336)
aspartate(2−) (CHEBI:29995) is conjugate base of aspartate(1−) (CHEBI:35391)
Incoming Relation(s)
N3-1,2-dicarboxyethyl-diaminobutanoate (CHEBI:229740) has functional parent aspartate(2−) (CHEBI:29995)
D-aspartate(2−) (CHEBI:29994) is a aspartate(2−) (CHEBI:29995)
L-aspartate(2−) (CHEBI:29993) is a aspartate(2−) (CHEBI:29995)
aspartate(1−) (CHEBI:35391) is conjugate acid of aspartate(2−) (CHEBI:29995)
IUPAC Names 
2-aminobutanedioate
aspartate
Synonyms  Source
2-aminosuccinateChEBI
aspartate(2−)JCBN
aspartic acid dianionJCBN