CHEBI:228796 - L-Threonic acid Calcium Salt

ChEBI IDCHEBI:228796
ChEBI NameL-Threonic acid Calcium Salt
Stars
SubmitterMetaboLights
DownloadsMolfile
Formula2C4H7O5.Ca
Net Charge0
Average Mass310.268
Monoisotopic Mass310.02129
SMILESO=C([O-])[C@H](O)[C@@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)CO.[Ca+2]
InChIInChI=1S/2C4H8O5.Ca/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m00./s1
InChIKeyZJXGOFZGZFVRHK-BALCVSAKSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
L-Threonic acid Calcium Salt (CHEBI:228796) is a L-α-D-Hepp-(1→7)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-α-Kdo (CHEBI:78618)
IUPAC Name 
calcium;(2R,3S)-2,3,4-trihydroxybutanoate
Manual XrefsDatabases
9337769ChemSpider
D70314KEGG DRUG
DB11168DrugBank