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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:57947 - creatine zwitterion
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ChEBI Ontology
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ChEBI Name
creatine zwitterion
ChEBI ID
CHEBI:57947
Definition
Zwitterionic form of creatine arising from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
ChemicalBook:CB9712144
,
eMolecules:480611
,
ZINC000004658561
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Formula
C4H9N3O2
Net Charge
0
Average Mass
131.13320
Monoisotopic Mass
131.06948
InChI
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
InChIKey
CVSVTCORWBXHQV-UHFFFAOYSA-N
SMILES
CN(CC([O-])=O)C(N)=[NH2+]
ChEBI Ontology
Outgoing
creatine zwitterion (
CHEBI:57947
)
is a
zwitterion (
CHEBI:27369
)
creatine zwitterion (
CHEBI:57947
)
is conjugate acid of
creatinate (
CHEBI:66924
)
creatine zwitterion (
CHEBI:57947
)
is tautomer of
creatine (
CHEBI:16919
)
Incoming
creatinate (
CHEBI:66924
)
is conjugate base of
creatine zwitterion (
CHEBI:57947
)
creatine (
CHEBI:16919
)
is tautomer of
creatine zwitterion (
CHEBI:57947
)
IUPAC Name
{[amino(iminio)methyl](methyl)amino}acetate
Synonym
Source
creatine
UniProt
Manual Xref
Database
CREATINE
MetaCyc
View more database links
Last Modified
02 April 2019