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(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate

PropertiesImage
MNX_IDMNXM744663 Image of MNXM744663
referencechebi:176711
formulaC15H27NO4
global charge0
mol weight285.384
InChIKeyYMIVWYONPRZBEJ-LXKVQUBZSA-N
InChIInChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1
SMILESCCCCC/C=C/C(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1 Image of MNXM744663
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]/[C:15](=[O:19])[O:20][C@@H:13]([CH2:11][CH2:12][C:14](=[O:17])[O-:18])[N+:16]([CH3:2])([CH3:3])[CH3:4]
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:176711
chebi:176711
YMIVWYONPRZBEJ-LXKVQUBZSA-N 		(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate
(4S)-4-[(E)-oct-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate

bigg.metabolite:c81crn
biggM:c81crn
YMIVWYONPRZBEJ-LXKVQUBZSA-N 		Octenoyl Carnitine

vmhM:c81crn
vmhmetabolite:c81crn
YMIVWYONPRZBEJ-LXKVQUBZSA-N 		octenoyl carnitine
(3S)-3-[(2E)-oct-2-enoyloxy]-4-(trimethylazaniumyl)butanoate

biggM:M_c81crn
vmhM:M_c81crn 		secondary/obsolete/fantasy identifier