Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	93702
Common Name:	6-Carboxy-hexanoyl-carnitine
Systematic Name:	O-(6-Carboxy-hexanoyl)-R-carnitine
RefMet Name:	CAR DC7:0
Synonyms:	CAR(DC7:0) [PubChem Synonyms]
Exact Mass:	303.1682 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C14H25NO6
InChIKey:	NTBUXPPQHCFLOM-LLVKDONJSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCC(=O)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	91825640
HMDB ID:	HMDB0013328

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y