(Q27122612)

(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium (English)

(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium

19 October 2016

stereoisomer of

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₇H₁₆NO₃⁺

1 reference

inferred from SMILES

canonical SMILES

C[N+](C)(C)CC(CC(=O)O)O

1 reference

(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium (English)

19 October 2016

isomeric SMILES

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

1 reference

Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer

(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium (English)

19 October 2016

1 reference

house mouse

1 reference

stated in

Betaine supplementation causes increase in carnitine metabolites in the muscle and liver of mice fed a high-fat diet as studied by nontargeted LC-MS metabolomics approach.

Identifiers

InChI

InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1

1 reference

(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium (English)

PHIQHXFUZVPYII-LURJTMIESA-O

19 October 2016

InChIKey

2 references

(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium (English)

19 October 2016

1 reference

(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium (English)

19 October 2016

Reaxys registry number

4291981

1 reference

(S)-carnitinium (English)

19 October 2016

ChEBI ID

51453

mapping relation type

1 reference

Human Metabolome Database ID

(S)-carnitinium (English)

19 October 2016

1 reference

HMDB0062634

1 reference

inferred from InChIKey

0 references

0 references

1 reference

3PPO (English)