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CHEBI:188491 - cyclohex-1,4-dienecarboxyl-AMP(1−)

ChEBI IDCHEBI:188491
ChEBI Namecyclohex-1,4-dienecarboxyl-AMP(1−)
Stars
ASCII Namecyclohex-1,4-dienecarboxyl-AMP(1-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH group of cyclohex-1,4-dienecarboxyl-AMP; major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC17H19N5O8P
Net Charge-1
Average Mass452.340
Monoisotopic Mass452.09767
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)C2=CCC=CC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H20N5O8P/c18-14-11-15(20-7-19-14)22(8-21-11)16-13(24)12(23)10(29-16)6-28-31(26,27)30-17(25)9-4-2-1-3-5-9/h1-2,5,7-8,10,12-13,16,23-24H,3-4,6H2,(H,26,27)(H2,18,19,20)/p-1/t10-,12-,13-,16-/m1/s1
InChIKeyBCXQNKCXGLJNBI-XNIJJKJLSA-M
ChEBI Ontology
Outgoing Relation(s)
cyclohex-1,4-dienecarboxyl-AMP(1−) (CHEBI:188491) has functional parent adenosine 5'-monophosphate(2−) (CHEBI:456215)
cyclohex-1,4-dienecarboxyl-AMP(1−) (CHEBI:188491) has functional parent cyclohex-1,4-dienecarboxylate (CHEBI:188486)
cyclohex-1,4-dienecarboxyl-AMP(1−) (CHEBI:188491) is a organophosphate oxoanion (CHEBI:58945)
UniProt Name  Source
cyclohex-1,4-dienecarboxyl-AMPUniProt