3-hydroxyisovalerylcarnitine (Q27105004)

3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate (English)

5 October 2016

chemical formula

C₁₂H₂₃NO₅

1 reference

3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate (English)

5 October 2016

canonical SMILES

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

1 reference

3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate (English)

InChI=1S/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3

5 October 2016

Identifiers

InChI

1 reference

3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate (English)

IGLHHSKNBDXCEY-UHFFFAOYSA-N

5 October 2016

InChIKey

2 references

3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[(3-Hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate (English)

5 October 2016

2 references

3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate (English)

matched by identifier from

5 October 2016

InChIKey

IGLHHSKNBDXCEY-UHFFFAOYSA-N

Reaxys registry number

21630531

1 reference

3-hydroxyisovalerylcarnitine (English)

5 October 2016

ChEBI ID

73027

mapping relation type

2 references

3-hydroxyisovalerylcarnitine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3

SureChEMBL ID

SCHEMBL288247

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IGLHHSKNBDXCEY-UHFFFAOYSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download