MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

O-heptadecanoylcarnitine

	Properties	Image
MNX_ID	MNXM8707
reference	chebi:131887
formula	C₂₄H₄₇NO₄
global charge	0
mol weight	413.643
InChIKey	DWSFAVOTORHAAL-UHFFFAOYSA-N
InChI	InChI=1S/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h22H,5-21H2,1-4H3
SMILES	CCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

MNX internals

InChI (mnx)	InChI=1/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h22H,5-21H2,1-4H3/t22?
SMILES (mnx)	[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:24](=[O:28])[O:29][CH:22]([CH2:20][C:23](=[O:26])[O-:27])[CH2:21][N+:25]([CH3:2])([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131887 chebi:131887 DWSFAVOTORHAAL-UHFFFAOYSA-N	O-heptadecanoylcarnitine 3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate 3-Carboxy-N,N,N-trimethyl-2-[(1-oxoheptadecyl)oxy]-1-propanaminium inner salt C17 carnitine Carnitine heptadecanoate Heptadecanoyl carnitine heptadecanoylcarnitine
CHEBI:190604 chebi:190604 DWSFAVOTORHAAL-UHFFFAOYSA-O	ACar 17:0 (3-carboxy-2-heptadecanoyloxypropyl)-trimethylazanium
bigg.metabolite:hpdcacrn biggM:hpdcacrn DWSFAVOTORHAAL-UHFFFAOYSA-N	Heptadecanoyl carnitine
hmdb:HMDB0006210 DWSFAVOTORHAAL-UHFFFAOYSA-N	Heptadecanoyl carnitine 3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate 3-Carboxy-N,N,N-trimethyl-2-[(1-oxoheptadecyl)oxy]-1-propanaminium inner salt C17 Carnitine Carnitine heptadecanoate Carnitine heptadecanoic acid Heptadecanoate Heptadecanoate carnitine Heptadecanoic acid Heptadecanoyl acid carnitine Heptadecanoylcarnitine heptadecanoyl carnitine
lipidmaps:LMFA07070067 lipidmapsM:LMFA07070067 DWSFAVOTORHAAL-UHFFFAOYSA-N	Heptadecanoyl carnitine 3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate CAR 17:0
vmhM:hpdcacrn vmhmetabolite:hpdcacrn DWSFAVOTORHAAL-UHFFFAOYSA-N	heptadecanoyl carnitine 3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate
hmdb:HMDB06210 biggM:M_hpdcacrn vmhM:M_hpdcacrn	secondary/obsolete/fantasy identifier