(Q27075129)

Gene Ontology release 2019-11-16

3-cyano-L-alanine catabolic process

subject has role

reactant

1 reference

Gene Ontology release 2019-11-16

3-cyano-L-alanine biosynthetic process

subject has role

product

1 reference

Gene Ontology release 2019-11-16

chemical structure

3-Cyano-L-alanine.svg
385 × 245; 15 KB

0 references

mass

114.042927±0 dalton

1 reference

3-Cyano-L-alanine (English)

3-cyano-L-alanine zwitterion

3 October 2016

stereoisomer of

1 reference

1 reference

3-cyano-L-alanine zwitterion

1 reference

ChEBI release 2021-03-01

chemical formula

C₄H₆N₂O₂

1 reference

3-Cyano-L-alanine (English)

3 October 2016

canonical SMILES

C(C#N)C(C(=O)O)N

1 reference

3-Cyano-L-alanine (English)

3 October 2016

isomeric SMILES

C(C#N)[C@@H](C(=O)O)N

1 reference

Recon 2.2: from reconstruction to model of human metabolism

3-Cyano-L-alanine (English)

3 October 2016

2 references

A community-driven global reconstruction of human metabolism.

Paralepistopsis acromelalga

1 reference

β-Cyano-l-alanine and N-(γ-l-glutamyl)-β-cyano-l-alanine, neurotoxic constituents of Clitocybe acromelalga

Vicia sativa

1 reference

Vicianin, prunasin, and beta-cyanoalanine in common vetch seed as sources of urinary thiocyanate in the rat.

Identifiers

InChI

InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1

1 reference

3-Cyano-L-alanine (English)

3 October 2016

1 reference

3-Cyano-L-alanine (English)

3 October 2016

1 reference

https://commonchemistry.cas.org/detail?cas_rn=6232-19-5

10 April 2021

1 reference

b-Cyano-L-Alanine (English)

3 October 2016

2 references

3-Cyano-L-alanine (English)

3 October 2016

6971253

1 reference

ChEBI ID

16934

mapping relation type

exact match

2 references

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1

77860

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1

1 reference

MassBank accession ID

MSBNK-GL_Sciences_Inc-GLS00005

0 references

MSBNK-Osaka_Univ-OUF00498

0 references

SPLASH

splash10-0006-0900000000-87a768329cbe7349b129

0 references

splash10-03di-0900000000-3b03a72c10187a8d30fa

0 references

splash10-0006-2910000000-cdae81bdd716faf914cb

0 references

DSSTox substance ID

DTXSID90977873

1 reference

DSSTOX compound identifier

DTXCID401405205

0 references

Guide to Pharmacology Ligand ID

8859

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8859

β-Cyano-L-alanine (English)

Human Metabolome Database ID

3 October 2016

HMDB0060245

2 references

based on heuristic

inferred from InChIKey

UNII

B75AJA4DCJ

1 reference