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(Q74411212)
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(R)-pantothenate
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
1 reference
stated in
ChEBI release 2019-11-01
pantothenate
0 references
part of
pantoate-beta-alanine ligase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
pantothenase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
pantothenate kinase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
pantetheine hydrolase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
pantothenate transmembrane transporter activity
subject has role
cargo
1 reference
stated in
Gene Ontology release 2022-07-01
mass
218.10339619191
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
pantothenic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₆NO₅⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O
0 references
Identifiers
InChI
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1/t7-/m0/s1
0 references
InChIKey
GHOKWGTUZJEAQD-ZETCQYMHSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
CAS Registry Number
20938-62-9
1 reference
InChIKey
GHOKWGTUZJEAQD-ZETCQYMHSA-M
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=20938-62-9
PubChem CID
167945
1 reference
matched by identifier from
InChIKey
InChIKey
GHOKWGTUZJEAQD-ZETCQYMHSA-M
Reaxys registry number
3907450
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
29032
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1/t7-/m0/s1
UniChem compound ID
1103074
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901014233
1 reference
matched by identifier from
InChIKey
InChIKey
GHOKWGTUZJEAQD-ZETCQYMHSA-M
DSSTOX compound identifier
DTXCID201436767
0 references
KNApSAcK ID
C00056041
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHOKWGTUZJEAQD-ZETCQYMHSA-M
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