CHEBI:192469 - trans-sinapoyl-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 trans-sinapoyl-AMP(1−)
ChEBI ID CHEBI:192469
ChEBI ASCII Name trans-sinapoyl-AMP(1-)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information ZINC000013776853
Download Molfile XML SDF
Formula C21H23N5O11P
Net Charge -1
Average Mass 552.413
Monoisotopic Mass 552.11372
InChI InChI=1S/C21H24N5O11P/c1-33-11-5-10(6-12(34-2)16(11)28)3-4-14(27)37-38(31,32)35-7-13-17(29)18(30)21(36-13)26-9-25-15-19(22)23-8-24-20(15)26/h3-6,8-9,13,17-18,21,28-30H,7H2,1-2H3,(H,31,32)(H2,22,23,24)/p-1/b4-3+/t13-,17-,18-,21-/m1/s1
InChIKey IEHUREDUHQQSOO-ZSYRKKTNSA-M
SMILES N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)=O)[C@H]([C@H]3O)O
ChEBI Ontology
Outgoing trans-sinapoyl-AMP(1−) (CHEBI:192469) has functional parent trans-sinapate (CHEBI:30023)
trans-sinapoyl-AMP(1−) (CHEBI:192469) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
trans-sinapoyl-AMP(1−) (CHEBI:192469) is a organophosphate oxoanion (CHEBI:58945)
Synonym Source
(E)-sinapoyl-AMP UniProt