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loading...| Preferred Name | Calcium pantothenate | |
| Synonyms |
Calcium pantothenate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31345 |
|
| alternative term |
Calcium pantothenate |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D01082 CAS:137-08-6 KEGG:C12276 |
|
| formula |
2C9H16NO5.Ca |
|
| has_exact_synonym |
Calcium pantothenate |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:31345 |
|
| in_subset | ||
| 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 |
|
| label |
Calcium pantothenate |
|
| mass |
476.533 |
|
| monoisotopicmass |
476.16829 |
|
| notation |
CHEBI:31345 |
|
| prefLabel |
Calcium pantothenate |
|
| 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 |
|
| subClassOf |
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