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CHEBI:31345 - Calcium pantothenate

ChEBI IDCHEBI:31345
ChEBI NameCalcium pantothenate
Stars
Last Modified28 July 2014
DownloadsMolfile
Formula2C9H16NO5.Ca
Net Charge0
Average Mass476.536
Monoisotopic Mass476.16829
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].[Ca+2]
InChIInChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
InChIKeyFAPWYRCQGJNNSJ-UBKPKTQASA-L
ChEBI Ontology
Outgoing Relation(s)
Calcium pantothenate (CHEBI:31345) is a polymer (CHEBI:60027)
Synonym  Source
Calcium pantothenateKEGG COMPOUND
Manual XrefsDatabases
C12276KEGG COMPOUND
D01082KEGG DRUG
Registry NumbersSources
CAS:137-08-6KEGG COMPOUND