CHEBI:188197 - (S)-HDAC-42

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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 (S)-HDAC-42
ChEBI ID CHEBI:188197
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20N2O3
Net Charge 0
Average Mass 312.369
Monoisotopic Mass 312.14739
InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKey LAMIXXKAWNLXOC-INIZCTEOSA-N
SMILES O=C(NC1=CC=C(C=C1)C(=O)NO)[C@@H](C(C)C)C2=CC=CC=C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-HDAC-42 (CHEBI:188197) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
Manual Xrefs Databases
5294039 ChemSpider
DB12707 KEGG DRUG
QCP PDBeChem
View more database links
Registry Number Type Source
935881-37-1 CAS Registry Number ChemIDplus