LIPID MAPS

Structure Database (LMSD)

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Common Name

N-palmitoyl valine

Systematic Name

N-hexadecanoyl-valine

Synonyms

LM ID

LMFA08020120

Formula

C₂₁H₄₁NO₃

Exact Mass

Calculate m/z

355.308644

Sum Composition

NAVal 16:0

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rattus norvegicus (#10116)

Mammalia (#40674)

Identification of endogenous acyl amino acids based on a targeted lipidomics approach.,
J Lipid Res, 2010

Pubmed ID: 19584404

DOI: 10.1194/jlr.M900198-JLR200

String Representations

InChiKey (Click to copy)

OGLNTVZUARMGNY-FQEVSTJZSA-N

InChi (Click to copy)

InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)22-20(18(2)3)21(24)25/h18,20H,4-17H2,1-3H3,(H,22,23)(H,24,25)/t20-/m0/s1

SMILES (Click to copy)

CC(C)[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O

Other Databases

CHEBI ID

165562

PubChem CID

11348810

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 0

Aromatic Rings 0

Rotatable Bonds 17

Van der Waals Molecular Volume 403.95

Topological Polar Surface Area 66.40

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 5.98

Molar Refractivity 105.23

Admin

Created at

Updated at

19th Feb 2024