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D-octopine dizwitterion
chemical compound
(2S)-5-{[amino(iminiumyl)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
D-octopine dehydrogenase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
octopine catabolic process
subject has role
reactant
1 reference
stated in
Gene Ontology release 2022-07-01
octopine metabolic process
subject has role
participant
1 reference
stated in
Gene Ontology release 2022-07-01
mass
246.132805056
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
N2-(1-Carboxyethyl)-L-arginine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
D-octopine
1 reference
based on heuristic
inferred from InChI
tautomer of
D-octopine
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₉H₁₈N₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(NC(CCCNC(=N)N)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
IMXSCCDUAFEIOE-RITPCOANSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
34522-32-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
108172
1 reference
matched by identifier from
InChIKey
InChIKey
IMXSCCDUAFEIOE-RITPCOANSA-N
6992007
1 reference
matched by identifier from
InChIKey
InChIKey
IMXSCCDUAFEIOE-RITPCOANSA-N
ChEBI ID
57520
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1
15805
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1
SureChEMBL ID
SCHEMBL25260960
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IMXSCCDUAFEIOE-RITPCOANSA-N
DSSTox substance ID
DTXSID70946103
1 reference
matched by identifier from
InChIKey
InChIKey
IMXSCCDUAFEIOE-RITPCOANSA-N
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