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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31345 - Calcium pantothenate
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ChEBI Ontology
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ChEBI Name
Calcium pantothenate
ChEBI ID
CHEBI:31345
Stars
This entity has been manually annotated by a third party.
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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