Structure Database (LMSD)

Common Name
LLU-alpha
Systematic Name
(2S)-2,7,8-Trimethyl-6-hydroxychroman-2-propanoic acid
Synonyms
LM ID
LMPR02020073
Status
Active
Exact Mass
Calculate m/z
264.13616
Formula
C15H20O4
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Vitamin E [PR0202]

String Representations

InChiKey (Click to copy)
VMJQLPNCUPGMNQ-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)/t15-/m0/s1
SMILES (Click to copy)
C1(C)=C(C)C2O[C@@](CCC(=O)O)(C)CCC=2C=C1O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
A new endogenous natriuretic factor: LLU-alpha.,
Proc Natl Acad Sci U S A, 1996
Pubmed ID: 8650209

Other Databases

PubChem CID
9881728

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 1
Rotatable Bonds 3
Van der Waals Molecular Volume 257.04
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.24
Molar Refractivity 72.32

Admin

Created at
4th Jun 2021
Updated at
4th Jun 2021