LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

LLU-alpha

Systematic Name

(2S)-2,7,8-Trimethyl-6-hydroxychroman-2-propanoic acid

Synonyms

LM ID

LMPR02020073

Formula

C₁₅H₂₀O₄

Exact Mass

Calculate m/z

264.13616

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

DOI: 10.1073/pnas.93.12.6002

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

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