CHEBI:221388 - CJ-14,897

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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 CJ-14,897
ChEBI ID CHEBI:221388
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H15NO5
Net Charge 0
Average Mass 253.254
Monoisotopic Mass 253.09502
InChI InChI=1S/C12H15NO5/c1-7(18-8(2)14)11(15)9-4-5-10(13-6-9)12(16)17-3/h4-7,11,15H,1-3H3/t7-,11+/m0/s1
InChIKey CTJGPKROOIGCCC-WRWORJQWSA-N
SMILES O=C(OC)C1=NC=C([C@H](O)[C@@H](OC(=O)C)C)C=C1
Metabolite of Species Details
Marasmiellus (NCBI:txid71896) See: PubMed
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 CJ-14,897 (CHEBI:221388) is a pyrimidinecarboxylic acid (CHEBI:78574)
IUPAC Name
methyl 5-[(1S,2S)-2-acetyloxy-1-hydroxypropyl]pyridine-2-carboxylate
Manual Xref Database
8374425 ChemSpider
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