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Alpha-Linolenyl carnitine

MNXM8289 is deprecated and here replaced by MNXM1372416
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372416 Image of MNXM1372416
referencechebi:185041
formulaC25H43NO4
global charge0
mol weight421.622
InChIKeyDFVGGGHKDAHYIU-UHMZJXMFSA-N
InChIInChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/m0/s1 Image of MNXM1372416
SMILES (mnx)[CH3:1][CH2:5]/[CH:6]=[CH: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][C:25](=[O:29])[O:30][C@@H:23]([CH2:21][CH2:22][C:24](=[O:27])[O-:28])[N+:26]([CH3:2])([CH3:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:185041
chebi:185041
DFVGGGHKDAHYIU-UHMZJXMFSA-N 		Alpha-Linolenyl carnitine
(4S)-4-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-4-(trimethylazaniumyl)butanoate

bigg.metabolite:lnlncacrn
biggM:lnlncacrn
DFVGGGHKDAHYIU-UHMZJXMFSA-N 		Alpha-linolenyl carnitine

vmhM:lnlncacrn
vmhmetabolite:lnlncacrn
DFVGGGHKDAHYIU-UHMZJXMFSA-N 		alpha-linolenyl carnitine
(3S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-4-(trimethylazaniumyl)butanoate

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