CHEBI:31345 - Calcium pantothenate

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ChEBI Name Calcium pantothenate ChEBI ID CHEBI:31345 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula 2C9H16NO5.Ca Net Charge 0 Average Mass 476.533 Monoisotopic Mass 476.16829 InChI InChI=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 InChIKey FAPWYRCQGJNNSJ-UBKPKTQASA-L SMILES [C@@H](C(CO)(C)C)(C(NCCC([O-])=O)=O)O.[Ca+2].[C@@H](C(CO)(C)C)(C(NCCC([O-])=O)=O)O ChEBI Ontology Outgoing Calcium pantothenate (CHEBI:31345) is a polymer (CHEBI:60027) Synonym Source Calcium pantothenate KEGG COMPOUND Manual Xrefs Databases C12276 KEGG COMPOUND D01082 KEGG DRUG View more database links Registry Number Type Source 137-08-6 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014