(Q106345494)

English

3-cyano-L-alanine zwitterion

chemical compound

(2S)-2-azaniumyl-3-cyanopropanoate

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Statements

instance of

type of chemical entity

0 references

1 reference

L-3-cyanoalanine synthase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

cyanoalanine nitrilase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

3-cyanoalanine hydratase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

3-cyano-L-alanine metabolic process

subject has role

participant

1 reference

stated in

Gene Ontology release 2022-07-01

3-cyano-L-alanine catabolic process

subject has role

reactant

1 reference

stated in

Gene Ontology release 2022-07-01

3-cyano-L-alanine biosynthetic process

subject has role

product

1 reference

stated in

Gene Ontology release 2022-07-01

mass

114.042927432 dalton

1 reference

1 reference

1 reference

1 reference

ChEBI release 2021-03-01

chemical formula

C₄H₆N₂O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

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

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

BXRLWGXPSRYJDZ-VKHMYHEASA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

6232-19-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

ChEBI ID

77860

mapping relation type

exact match

1 reference

stated in

ChEBI release 2021-03-01

MassBank accession ID

MSBNK-GL_Sciences_Inc-GLS00005

1 reference

InChIKey

BXRLWGXPSRYJDZ-VKHMYHEASA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Osaka_Univ-OUF00498

1 reference

InChIKey

BXRLWGXPSRYJDZ-VKHMYHEASA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

Human Metabolome Database ID

HMDB0060245

1 reference

based on heuristic

inferred from InChIKey

Probes And Drugs ID

PD020152

0 references

(Q106345494)

3-cyano-L-alanine zwitterion

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