(Q72516000)

English

Valine

chemical compound

DL-Aminovaleic acid
2-Amino-3-methylbutyric acid

In more languages

Statements

type of chemical entity

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chemical compound

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117.078978592 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

L-valine zwitterion

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅H₁₁NO₂

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canonical SMILES

CC(C)C(N)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

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KZSNJWFQEVHDMF-BYPYZUCNSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

0 references

1 reference

matched by identifier from

KZSNJWFQEVHDMF-BYPYZUCNSA-N

1 reference

matched by identifier from

KZSNJWFQEVHDMF-BYPYZUCNSA-N

1 reference

matched by identifier from

KZSNJWFQEVHDMF-BYPYZUCNSA-N

mapping relation type

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matched by identifier from

International Chemical Identifier

InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1

NMRShiftDB structure ID

1 reference

matched by identifier from

KZSNJWFQEVHDMF-BYPYZUCNSA-N

DSSTox substance ID

1 reference

matched by identifier from

KZSNJWFQEVHDMF-BYPYZUCNSA-N

Human Metabolome Database ID

1 reference

matched by identifier from

KZSNJWFQEVHDMF-BYPYZUCNSA-N

1 reference

matched by identifier from

KZSNJWFQEVHDMF-BYPYZUCNSA-N

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