LIPID MAPS

Structure Database (LMSD)

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Common Name

N-stearoyl dopamine

Systematic Name

N-[2-(3,4-dihydroxyphenyl)ethyl]-octadecanamide

Synonyms

LM ID

LMFA08020246

Formula

C₂₆H₄₅NO₃

Exact Mass

Calculate m/z

419.339944

Sum Composition

NA 26:4;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Biosynthesis, degradation and pharmacological importance of the fatty acid amides.,
Drug Discov Today, 2008

Pubmed ID: 18598910

DOI: 10.1016/j.drudis.2008.02.006

String Representations

InChiKey (Click to copy)

KOCSVLPLQCBIGW-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h18-19,22,28-29H,2-17,20-21H2,1H3,(H,27,30)

SMILES (Click to copy)

C(CCCCCCCCCCCCC)CCCC(=O)NCCC1=CC(O)=C(O)C=C1

Other Databases

CHEBI ID

186909

PubChem CID

10025103

Cayman ID

38973

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 1

Rotatable Bonds 19

Van der Waals Molecular Volume 461.91

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 7.30

Molar Refractivity 126.52

Admin

Created at

30th Jul 2019

Updated at