CHEBI:187796 - N-arachidonoyl vanillylamine

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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 N-arachidonoyl vanillylamine
ChEBI ID CHEBI:187796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H41NO3
Net Charge 0
Average Mass 439.640
Monoisotopic Mass 439.30864
InChI InChI=1S/C28H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)29-24-25-21-22-26(30)27(23-25)32-2/h7-8,10-11,13-14,16-17,21-23,30H,3-6,9,12,15,18-20,24H2,1-2H3,(H,29,31)/b8-7-,11-10-,14-13-,17-16-
InChIKey QVLMCRFQGHWOPM-ZKWNWVNESA-N
SMILES O=C(NCC1=CC(OC)=C(O)C=C1)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing N-arachidonoyl vanillylamine (CHEBI:187796) is a methoxybenzenes (CHEBI:51683)
N-arachidonoyl vanillylamine (CHEBI:187796) is a phenols (CHEBI:33853)
IUPAC Name
(5Z,8Z,11Z,14Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
Manual Xrefs Databases
4952462 ChemSpider
LMFA08020154 LIPID MAPS
LSM-42941 LINCS
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Registry Number Type Source
128007-31-8 CAS Registry Number ChemIDplus