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(4S)-4-[(2E,4Z)-2,4-Decadienoyloxy]-4-(trimethylammonio)butanoate

PropertiesImage
MNX_IDMNXM1368301 Image of MNXM1368301
referencechebi:177713
formulaC17H29NO4
global charge0
mol weight311.422
InChIKeyGDMITEPIMYKPHX-USKNYQQNSA-N
InChIInChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1
SMILESCCCCC/C=C\C=C\C(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1 Image of MNXM1368301
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH:11]=[CH:12]\[C:17](=[O:21])[O:22][C@@H:15]([CH2:13][CH2:14][C:16](=[O:19])[O-:20])[N+:18]([CH3:2])([CH3:3])[CH3:4]
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

CHEBI:177713
chebi:177713
GDMITEPIMYKPHX-USKNYQQNSA-N 		(4S)-4-[(2E,4Z)-2,4-Decadienoyloxy]-4-(trimethylammonio)butanoate
(4S)-4-[(2E,4Z)-deca-2,4-dienoyl]oxy-4-(trimethylazaniumyl)butanoate

bigg.metabolite:decdicrn
biggM:decdicrn
GDMITEPIMYKPHX-USKNYQQNSA-N 		Decadienoyl Carnitine

vmhM:decdicrn
vmhmetabolite:decdicrn
GDMITEPIMYKPHX-USKNYQQNSA-N 		decadienoyl carnitine
(3R)-3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate

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