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CAR(18:1(11E))

PropertiesImage
MNX_IDMNXM1371268 Image of MNXM1371268
referencechebi:165598
formulaC25H47NO4
global charge0
mol weight425.654
InChIKeyHITOYGLMAFIRNI-YSESTWPTSA-N
InChIInChI=1S/C25H47NO4/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/h10-11,23H,5-9,12-22H2,1-4H3/b11-10+/t23-/m0/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C25H47NO4/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/h10-11,23H,5-9,12-22H2,1-4H3/b11-10+/t23-/m0/s1 Image of MNXM1371268
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][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)6
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:165598
chebi:165598
HITOYGLMAFIRNI-YSESTWPTSA-N 		CAR(18:1(11E))
(4S)-4-[(E)-octadec-11-enoyl]oxy-4-(trimethylazaniumyl)butanoate

bigg.metabolite:ocdececrn
biggM:ocdececrn
HITOYGLMAFIRNI-YSESTWPTSA-N 		11-octadecenoyl carnitine

vmhM:ocdececrn
vmhmetabolite:ocdececrn
HITOYGLMAFIRNI-YSESTWPTSA-N 		11-octadecenoyl carnitine
(3S)-3-[(11E)-octadec-11-enoyloxy]-4-(trimethylazaniumyl)butanoate

vmhM:vacccrn
vmhmetabolite:vacccrn
HITOYGLMAFIRNI-YSESTWPTSA-N 		Vaccenyl carnitine

biggM:M_ocdececrn
vmhM:M_ocdececrn
vmhM:M_vacccrn 		secondary/obsolete/fantasy identifier