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O-adipoylcarnitine

PropertiesImage
MNX_IDMNXM1363585 Image of MNXM1363585
referencechebi:68568
formulaC13H23NO6
global charge0
mol weight289.328
InChIKeyBSVHAXJKBCWVDA-UHFFFAOYSA-N
InChIInChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)
SMILESC[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)/t10? Image of MNXM1363585
SMILES (mnx)[CH3:1][N+:14]([CH3:2])([CH3:3])[CH2:9][CH:10]([CH2:8][C:12](=[O:17])[O-:18])[O:20][C:13]([CH2:7][CH2:5][CH2:4][CH2:6][C:11](=[O:15])[OH:16])=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68568
chebi:68568
BSVHAXJKBCWVDA-UHFFFAOYSA-N 		O-adipoylcarnitine
3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate
3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

bigg.metabolite:c6dc
biggM:c6dc
BSVHAXJKBCWVDA-UHFFFAOYSA-M 		Adipoyl carnitine
5-Carboxypentanoyl carnitine
hmdb:HMDB0304653
BSVHAXJKBCWVDA-UHFFFAOYSA-N 		Caryophyllen-beta
3-[(5-Carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate
3-[(5-Carboxypentanoyl)oxy]-4-(trimethylammonio)butanoic acid
3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate
3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

lipidmaps:LMFA07070087
lipidmapsM:LMFA07070087
BSVHAXJKBCWVDA-UHFFFAOYSA-N 		O-adipoylcarnitine
3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate
3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
CAR 6:1
O2

SLM:000000870
slm:000000870
BSVHAXJKBCWVDA-UHFFFAOYSA-M 		O-hexanedioylcarnitine

CHEBI:77082
chebi:77082
BSVHAXJKBCWVDA-UHFFFAOYSA-M 		O-hexanedioylcarnitine
6-{[1-carboxylato-3-(trimethylazaniumyl)propan-2-yl]oxy}-6-oxohexanoate
O-DC6:0carnitine(1-)
O-adipoylcarnitine(1-)
O-hexanedioylcarnitine(1-)

biggM:M_c6dc 		secondary/obsolete/fantasy identifier