CHEBI:202399 - NFAT-68

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 NFAT-68
ChEBI ID CHEBI:202399
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H23NO6
Net Charge 0
Average Mass 349.383
Monoisotopic Mass 349.15254
InChI InChI=1S/C18H23NO6/c1-10(5-6-16(22)25-4)7-11(2)17(23)14-8-13(21)9-15(18(14)24)19-12(3)20/h5-9,11,17,21,23-24H,1-4H3,(H,19,20)/b6-5+,10-7+
InChIKey CEGIRERGELADRL-WEYXYWBQSA-N
SMILES O=C(OC)/C=C/C(=C/C(C(O)C1=C(O)C(NC(=O)C)=CC(=C1)O)C)/C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing NFAT-68 (CHEBI:202399) is a acetamides (CHEBI:22160)
NFAT-68 (CHEBI:202399) is a anilide (CHEBI:13248)
IUPAC Name
methyl (2E,4E)-7-(3-acetamido-2,5-dihydroxyphenyl)-7-hydroxy-4,6-dimethylhepta-2,4-dienoate
Manual Xref Database
8241937 ChemSpider
View more database links