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Chemistry, part 3

Content language

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Concept information

chemical entity > chemical substance > mixture > polymer > calcium pantothenate

Preferred term

calcium pantothenate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • 2C9H16NO5.Ca

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

mass

  • 476.533

monoisotopicmass

  • 476.16829

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

subset

  • 2_STAR

synonym EXACT

  • Calcium pantothenate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31345

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