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CHEBI:57567 - N6-(1,2-dicarboxylatoethyl)-AMP(4−)

ChEBI IDCHEBI:57567
ChEBI NameN6-(1,2-dicarboxylatoethyl)-AMP(4−)
Stars
ASCII NameN(6)-(1,2-dicarboxylatoethyl)-AMP(4-)
DefinitionTetraanion of N6-(1,2-dicarboxyethyl)-AMP arising from deprotonation of carboxylic acid and phosphate functions.
Secondary ChEBI IDCHEBI:22262
Last Modified27 October 2017
DownloadsMolfile
FormulaC14H14N5O11P
Net Charge-4
Average Mass459.264
Monoisotopic Mass459.04494
SMILESO=C([O-])CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O)C(=O)[O-]
InChIInChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/p-4/t5?,6-,9-,10-,13-/m1/s1
InChIKeyOFBHPPMPBOJXRT-DPXQIYNJSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N6-(1,2-dicarboxylatoethyl)-AMP(4−) (CHEBI:57567) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
N6-(1,2-dicarboxylatoethyl)-AMP(4−) (CHEBI:57567) has role human metabolite (CHEBI:77746)
N6-(1,2-dicarboxylatoethyl)-AMP(4−) (CHEBI:57567) is a dicarboxylic acid dianion (CHEBI:28965)
N6-(1,2-dicarboxylatoethyl)-AMP(4−) (CHEBI:57567) is a organophosphate oxoanion (CHEBI:58945)
N6-(1,2-dicarboxylatoethyl)-AMP(4−) (CHEBI:57567) is conjugate base of N6-(1,2-dicarboxyethyl)-AMP (CHEBI:15919)
Incoming Relation(s)
N6-(1,2-dicarboxyethyl)-AMP (CHEBI:15919) is conjugate acid of N6-(1,2-dicarboxylatoethyl)-AMP(4−) (CHEBI:57567)
IUPAC Name 
N-(1,2-dicarboxylatoethyl)-5'-O-phosphonatoadenosine
Synonym  Source
N6-(1,2-dicarboxylatoethyl)-AMP tetraanionChEBI
UniProt Name  Source
N6-(1,2-dicarboxyethyl)-AMPUniProt