CHEBI:144942 - 3,4-dihydroxybenzoyl-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 3,4-dihydroxybenzoyl-AMP(1−)
ChEBI ID CHEBI:144942
ChEBI ASCII Name 3,4-dihydroxybenzoyl-AMP(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C17H17N5O10P
Net Charge -1
Average Mass 482.322
Monoisotopic Mass 482.07185
InChI InChI=1S/C17H18N5O10P/c18-14-11-15(20-5-19-14)22(6-21-11)16-13(26)12(25)10(31-16)4-30-33(28,29)32-17(27)7-1-2-8(23)9(24)3-7/h1-3,5-6,10,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/p-1/t10-,12-,13-,16-/m1/s1
InChIKey YDVDHHNNOYDHLY-XNIJJKJLSA-M
SMILES N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC(C4=CC=C(C(O)=C4)O)=O)=O)[C@H]([C@H]3O)O
ChEBI Ontology
Outgoing 3,4-dihydroxybenzoyl-AMP(1−) (CHEBI:144942) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
3,4-dihydroxybenzoyl-AMP(1−) (CHEBI:144942) is a organophosphate oxoanion (CHEBI:58945)
Synonym Source
3,4-dihydroxybenzoyl-5'-AMP UniProt
Manual Xref Database
CPD-11474 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
17346033 PubMed citation SUBMITTER