Search MNXref
 Feedback

O-[(2E)-hexenedioyl]carnitine

PropertiesImage
MNX_IDMNXM149334 Image of MNXM149334
referencechebi:73042
formulaC13H21NO6
global charge0
mol weight287.312
InChIKeyXBOISISLTCYSPV-FNORWQNLSA-N
InChIInChI=1S/C13H21NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h5,7,10H,4,6,8-9H2,1-3H3,(H-,15,16,17,18)/b7-5+
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)/C=C/CCC(=O)O
MNX internals
InChI (mnx)InChI=1/C13H21NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h5,7,10H,4,6,8-9H2,1-3H3,(H-,15,16,17,18)/b7-5+/t10? Image of MNXM149334
SMILES (mnx)[CH3:1][N+:14]([CH3:2])([CH3:3])[CH2:9][CH:10]([CH2:8][C:12](=[O:17])[O-:18])[O:20][C:13](/[CH:7]=[CH:5]/[CH2:4][CH2:6][C:11](=[O:15])[OH:16])=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73042
chebi:73042
XBOISISLTCYSPV-FNORWQNLSA-N 		O-[(2E)-hexenedioyl]carnitine
(2E)-hexenedioylcarnitine
3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylammonio)butanoate
3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
trans-2-hexenedioylcarnitine
hmdb:HMDB0240749
XBOISISLTCYSPV-FNORWQNLSA-N 		(2E)-Hexenedioylcarnitine
3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylammonio)butanoate
3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylammonio)butanoic acid
trans-2-Hexenedioylcarnitine

lipidmaps:LMFA07070013
lipidmapsM:LMFA07070013
XBOISISLTCYSPV-FNORWQNLSA-N 		(2E)-hexenedioylcarnitine
3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylammonio)butanoate
3-{[(2E)-5-carboxypent-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
CAR 6:2
O2
trans-2-hexenedioylcarnitine