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CHEBI:73680 - carbamoyl adenylate

ChEBI IDCHEBI:73680
ChEBI Namecarbamoyl adenylate
Stars
DefinitionA purine ribonucleoside 5'-monophosphate that is AMP in which one of the phosphate OH groups substituted by a carbamoyl group
Last Modified27 October 2017
SubmitterSteve
DownloadsMolfile
FormulaC11H15N6O8P
Net Charge0
Average Mass390.249
Monoisotopic Mass390.06890
SMILESNC(=O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
InChIKeyCHSNPOFVFYPELH-KQYNXXCUSA-N
ChEBI Ontology
Outgoing Relation(s)
carbamoyl adenylate (CHEBI:73680) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
carbamoyl adenylate (CHEBI:73680) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
carbamoyl adenylate (CHEBI:73680) is conjugate acid of carbamoyl adenylate(1−) (CHEBI:73674)
Incoming Relation(s)
carbamoyl adenylate(1−) (CHEBI:73674) is conjugate base of carbamoyl adenylate (CHEBI:73680)
IUPAC Name 
5'-O-[(carbamoyloxy)(hydroxy)phosphoryl]adenosine
Synonyms  Source
carbamoyl-AMPChEBI
O-CarbamoyladenylateKEGG COMPOUND
Manual XrefsDatabases
CA0PDBeChem
C20684KEGG COMPOUND