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O-tiglylcarnitine

PropertiesImage
MNX_IDMNXM729945 Image of MNXM729945
referencechebi:71179
formulaC12H21NO4
global charge0
mol weight243.303
InChIKeyWURBQCVBQNMUQT-RMKNXTFCSA-N
InChIInChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+
SMILESC/C=C(\C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+/t10? Image of MNXM729945
SMILES (mnx)[CH3:1]/[CH:6]=[C:9](\[CH3:2])[C:12](=[O:16])[O:17][CH:10]([CH2:7][C:11](=[O:14])[O-:15])[CH2:8][N+:13]([CH3:3])([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71179
chebi:71179
WURBQCVBQNMUQT-RMKNXTFCSA-N 		O-tiglylcarnitine
3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylammonio)butanoate
3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
tiglylcarnitine

bigg.metabolite:c51crn
biggM:c51crn
WURBQCVBQNMUQT-RMKNXTFCSA-N 		Tiglyl carnitine
(E)-2-methylbut-2-enoyl carnitin

lipidmaps:LMFA07070108
lipidmapsM:LMFA07070108
WURBQCVBQNMUQT-RMKNXTFCSA-N 		Tiglylcarnitine
3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
CAR 5:1

vmhM:c51crn
vmhmetabolite:c51crn
WURBQCVBQNMUQT-RMKNXTFCSA-N 		tiglyl carnitine
(3R)-3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

biggM:M_c51crn
vmhM:M_c51crn 		secondary/obsolete/fantasy identifier