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3-Hydroxy-Octadecenoyl Carnitine

MNXM101661 is deprecated and here replaced by MNXM1363403
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363403 Image of MNXM1363403
referencebiggM:3octdece1crn
formulaC25H47NO5
global charge0
mol weight441.653
InChIKeyDGNPJQDFCXFOEZ-OEPBMOORSA-N
InChIInChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1
SMILESCCCCCC/C=C\CCCCCCCC(O)CC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1 Image of MNXM1363403
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:22]([CH2:21][C:25](=[O:30])[O:31][C@@H:23]([CH2:19][CH2:20][C:24](=[O:28])[O-:29])[N+:26]([CH3:2])([CH3:3])[CH3:4])[OH:27]
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

bigg.metabolite:3octdece1crn
biggM:3octdece1crn
DGNPJQDFCXFOEZ-OEPBMOORSA-N 		3-Hydroxy-Octadecenoyl Carnitine

vmhM:3octdece1crn
vmhmetabolite:3octdece1crn
DGNPJQDFCXFOEZ-OEPBMOORSA-N 		3-hydroxy-octadecenoyl carnitine
(3R)-3-{[(3R,11Z)-3-hydroxyoctadec-11-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

biggM:M_3octdece1crn
vmhM:M_3octdece1crn 		secondary/obsolete/fantasy identifier