(Q106345499)

English

(S)-3-aminoisobutyric acid zwitterion

chemical compound

(2S)-3-azaniumyl-2-methylpropanoate

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Statements

instance of

type of chemical entity

0 references

subclass of

3-aminoisobutyric acid

1 reference

based on heuristic

inferred from InChIKey

part of

(S)-3-amino-2-methylpropionate transaminase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

mass

103.063328528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(R)-3-aminoisobutyric acid zwitterion

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(S)-3-aminoisobutyric acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(R)-3-aminoisobutyric acid

1 reference

based on heuristic

inferred from InChI

tautomer of

(S)-3-aminoisobutyric acid

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₄H₉NO₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CN)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H](CN)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

QCHPKSFMDHPSNR-VKHMYHEASA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

4249-19-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

439434

1 reference

matched by identifier from

InChIKey

QCHPKSFMDHPSNR-VKHMYHEASA-N

6971062

1 reference

matched by identifier from

InChIKey

QCHPKSFMDHPSNR-VKHMYHEASA-N

ChEBI ID

58655

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

33094

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

DSSTox substance ID

DTXSID901313225

1 reference

matched by identifier from

InChIKey

QCHPKSFMDHPSNR-VKHMYHEASA-N

1 reference

Human Metabolome Database ID

HMDB0002166

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QCHPKSFMDHPSNR-VKHMYHEASA-N

UNII

H1WR898GX7

1 reference

matched by identifier from

InChIKey

QCHPKSFMDHPSNR-VKHMYHEASA-N

Probes And Drugs ID

PD049746

0 references

(Q106345499)

(S)-3-aminoisobutyric acid zwitterion

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