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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cyclohex-1,4-dienecarboxyl-AMP(1−)
ChEBI ID CHEBI:188491
ChEBI ASCII Name cyclohex-1,4-dienecarboxyl-AMP(1-)
Definition An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of cyclohex-1,4-dienecarboxyl-AMP; major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C17H19N5O8P
Net Charge -1
Average Mass 452.340
Monoisotopic Mass 452.09767
InChI InChI=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
InChIKey BCXQNKCXGLJNBI-XNIJJKJLSA-M
SMILES NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(C4=CCC=CC4)=O)[O-])[C@@H](O)[C@H]3O
ChEBI Ontology
Outgoing 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)
Synonym Source
cyclohex-1,4-dienecarboxyl-AMP UniProt