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English
L-homocitrulline zwitterion
chemical compound
(2S)-2-azaniumyl-6-(carbamoylamino)hexanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
lysine carbamoyltransferase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
189.11134134
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
L-homocitrulline
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
D-homocitrulline
1 reference
based on heuristic
inferred from InChIKey
tautomer of
L-homocitrulline
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₇H₁₅N₃O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=C(O)NCCCCC(N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
NC(=O)NCCCC[C@H](N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
XIGSAGMEBXLVJJ-YFKPBYRVSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
1190-49-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
ChEBI ID
58148
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
SureChEMBL ID
SCHEMBL56915
1 reference
based on heuristic
inferred from InChIKey
MassBank accession ID
MSBNK-Osaka_Univ-OUF00047
1 reference
InChIKey
XIGSAGMEBXLVJJ-YFKPBYRVSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PM000954
1 reference
InChIKey
XIGSAGMEBXLVJJ-YFKPBYRVSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0000679
1 reference
based on heuristic
inferred from InChIKey
KNApSAcK ID
C00052314
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD099458
0 references
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