CHEBI:203941 - Y-14556

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 Y-14556
ChEBI ID CHEBI:203941
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20Cl2N2O5
Net Charge 0
Average Mass 367.220
Monoisotopic Mass 366.07493
InChI InChI=1S/C14H20Cl2N2O5/c1-5(17)11(21)18-10-7-3-6(19)4-8(20)9(7)12(22)23-14(10,2)13(15)16/h5-7,10,13,19-20H,3-4,17H2,1-2H3,(H,18,21)/t5-,6-,7+,10+,14-/m0/s1
InChIKey JSRXKUDJDNEKAW-NTQPJNNGSA-N
SMILES ClC(Cl)[C@]1(OC(=O)C2=C(O)C[C@H](C[C@H]2[C@H]1NC(=O)[C@@H](N)C)O)C
Metabolite of Species Details
Pseudomonasspecies (NCBI:txid306) See: PubMed
ChEBI Ontology
Outgoing Y-14556 (CHEBI:203941) is a amino acid amide (CHEBI:22475)
IUPAC Name
(2S)-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide
Manual Xref Database
57523237 ChemSpider
View more database links