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CHEBI:31345 - Calcium pantothenate

Default Structure
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
Roles Classification
Application:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
Calcium pantothenate (CHEBI:31345) has role anti-ulcer drug (CHEBI:49201)
Calcium pantothenate (CHEBI:31345) is a polymer (CHEBI:60027)
INNs  Source
pantotenato de calcioWHO MedNet
pantothenate de calciumWHO MedNet
Synonyms  Source
Calcium pantotenateChEMBL
Calcium pantothenateKEGG COMPOUND
Calcium pantothenate, d-ChEMBL
D-calcium pantothenateChEMBL
D-ca pantothenateChEMBL
NSC-36292ChEMBL
Brand Names  Source
CalpanChEMBL
PantholinChEMBL
Manual XrefsDatabases
C12276KEGG COMPOUND
D01082KEGG DRUG
Registry NumbersSources
CAS:137-08-6KEGG COMPOUND
Citations