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(13Z,16Z)-docosadienoylcarnitine

PropertiesImage
MNX_IDMNXM149276 Image of MNXM149276
referencechebi:73120
formulaC29H53NO4
global charge0
mol weight479.746
InChIKeyLDIMXAXYWUCEAM-UTJQPWESSA-N
InChIInChI=1S/C29H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,27H,5-8,11,14-26H2,1-4H3/b10-9-,13-12-
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C29H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,27H,5-8,11,14-26H2,1-4H3/b10-9-,13-12-/t27? Image of MNXM149276
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:29](=[O:33])[O:34][CH:27]([CH2:25][C:28](=[O:31])[O-:32])[CH2:26][N+:30]([CH3:2])([CH3:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73120
chebi:73120
LDIMXAXYWUCEAM-UTJQPWESSA-N 		(13Z,16Z)-docosadienoylcarnitine
13-cis,16-cis-docosadienoylcarnitine
3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-4-(trimethylammonio)butanoate
3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-4-(trimethylazaniumyl)butanoate
hmdb:HMDB0240748
LDIMXAXYWUCEAM-UTJQPWESSA-N 		(13Z,16Z)-Docosadienoylcarnitine
13-cis,16-cis-Docosadienoylcarnitine
3-[(13Z,16Z)-Docosa-13,16-dienoyloxy]-4-(trimethylammonio)butanoate
3-[(13Z,16Z)-Docosa-13,16-dienoyloxy]-4-(trimethylammonio)butanoic acid

lipidmaps:LMFA07070012
lipidmapsM:LMFA07070012
LDIMXAXYWUCEAM-UTJQPWESSA-N 		(13Z,16Z)-docosadienoylcarnitine
13-cis,16-cis-docosadienoylcarnitine
3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-4-(trimethylammonio)butanoate
3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-4-(trimethylazaniumyl)butanoate
CAR 22:2

bigg.metabolite:M00022
biggM:M00022
LDIMXAXYWUCEAM-UTJQPWESSA-N 		13Z,16Z-Docosadienoylcarnitine

biggM:M_M00022 		secondary/obsolete/fantasy identifier