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

Feedback

3-hydroxyisovalerylcarnitine

	Properties	Image
MNX_ID	MNXM150917
reference	chebi:73027
formula	C₁₂H₂₃NO₅
global charge	0
mol weight	261.318
InChIKey	IGLHHSKNBDXCEY-UHFFFAOYSA-N
InChI	InChI=1S/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3
SMILES	CC(C)(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

MNX internals

InChI (mnx)	InChI=1/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3/t9?
SMILES (mnx)	[CH3:1][C:12]([CH3:2])([CH2:7][C:11](=[O:16])[O:18][CH:9]([CH2:6][C:10](=[O:14])[O-:15])[CH2:8][N+:13]([CH3:3])([CH3:4])[CH3:5])[OH:17]

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
Identifier	Description
CHEBI:73027 chebi:73027 IGLHHSKNBDXCEY-UHFFFAOYSA-N	3-hydroxyisovalerylcarnitine 3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate 3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
bigg.metabolite:3ivcrn biggM:3ivcrn IGLHHSKNBDXCEY-UHFFFAOYSA-N	3-Hydroxy-Isovaleryl Carnitine
hmdb:HMDB0061189 IGLHHSKNBDXCEY-UHFFFAOYSA-N	3-Hydroxyisovalerylcarnitine (3R)-3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate (3R)-3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
vmhM:3ivcrn vmhmetabolite:3ivcrn IGLHHSKNBDXCEY-UHFFFAOYSA-N	3-hydroxy-isovaleryl carnitine (3R)-3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
lipidmaps:LMFA07070041 lipidmapsM:LMFA07070041 IGLHHSKNBDXCEY-UHFFFAOYSA-N	3-hydroxyisovalerylcarnitine 3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate 3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate CAR 5:0 O
hmdb:HMDB61189 chebi:82958 biggM:M_3ivcrn vmhM:M_3ivcrn	secondary/obsolete/fantasy identifier