(Q27157963)

(3R)-3-{[(5Z)-tetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate (English)

(5E)-tetradecenoyl-L-carnitine

9 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₉NO₄

1 reference

(3R)-3-{[(5Z)-tetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate (English)

9 October 2016

canonical SMILES

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

1 reference

(3R)-3-{[(5Z)-tetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate (English)

9 October 2016

isomeric SMILES

CCCCCCCC/C=C\CCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C

1 reference

(3R)-3-{[(5Z)-tetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate (English)

InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-/t19-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

(3R)-3-{[(5Z)-tetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate (English)

NNCBVXBBLABOCB-SYGIOELKSA-N

9 October 2016

InChIKey

2 references

(3R)-3-{[(5Z)-tetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

O-[(5Z)-tetradecenoyl]-L-carnitine (English)

9 October 2016

1 reference

(3R)-3-[(5Z)-5-Tetradecenoyloxy]-4-(trimethylammonio)butanoate (English)

9 October 2016

1 reference

(3R)-3-{[(5Z)-tetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate (English)

9 October 2016

ChEBI ID

84649

mapping relation type

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

O-[(5Z)-tetradecenoyl]-L-carnitine (English)

9 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID50809181

0 references

Human Metabolome Database ID

0 references

1 reference

https://www.swisslipids.org/#/downloads