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CHEBI:187320 - O-hexanoyl-adenosine monophosphate

ChEBI IDCHEBI:187320
ChEBI NameO-hexanoyl-adenosine monophosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24N5O8P
Net Charge0
Average Mass445.369
Monoisotopic Mass445.13625
SMILESCCCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1O
InChIInChI=1S/C16H24N5O8P/c1-2-3-4-5-10(22)29-30(25,26)27-6-9-12(23)13(24)16(28-9)21-8-20-11-14(17)18-7-19-15(11)21/h7-9,12-13,16,23-24H,2-6H2,1H3,(H,25,26)(H2,17,18,19)/t9-,12+,13?,16-/m1/s1
InChIKeyCTEJAJOBMJUFFB-YNYVPPHTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
O-hexanoyl-adenosine monophosphate (CHEBI:187320) is a 5'-acylphosphoadenosine (CHEBI:16406)
IUPAC Name 
[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hexanoate
Manual XrefsDatabases
2497480ChemSpider
LMFA07080001LIPID MAPS