Structure Database (LMSD)

Common Name
cis-3,4-methylene-heptanoyl-R-carnitine
Systematic Name
cis-3,4-methylene-heptanoyl-R-carnitine
Synonyms
LM ID
LMFA07070135
Formula
C15H27NO4
Exact Mass
Calculate m/z
285.194009
Sum Composition
CAR 8:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
cis-3,4-Methylene-heptanoylcarnitine: characterization and verification of the C8:1 acylcarnitine in human urine.,
J Chromatogr B Analyt Technol Biomed Life Sci, 2007
Pubmed ID: 17692580

String Representations

InChiKey (Click to copy)
LNGSHJPPGDBEPT-WXRRBKDZSA-N
InChi (Click to copy)
InChI=1S/C15H27NO4/c1-5-6-11-7-12(11)8-15(19)20-13(9-14(17)18)10-16(2,3)4/h11-13H,5-10H2,1-4H3/t11?,12?,13-/m1/s1
SMILES (Click to copy)
O(C(CC1CC1CCC)=O)[C@](CC([O-])=O)(C[N+](C)(C)C)[H]

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 296.58
Topological Polar Surface Area 66.43
Hydrogen Bond Donors
Hydrogen Bond Acceptors 5
logP 1.14
Molar Refractivity 75.21

Admin

Created at
27th Aug 2024
Updated at
15th Oct 2024