LIPID MAPS

Structure Database (LMSD)

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Common Name

N-oleoyl histidine

Systematic Name

N-(9Z-octadecenoyl)-histidine

Synonyms

LM ID

LMFA08020133

Formula

C₂₄H₄₁N₃O₃

Exact Mass

Calculate m/z

419.314792

Sum Composition

NAHis 18:1

Status

Active

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)

QJFAABXOMYWNGP-DYYZXQNHSA-N

InChi (Click to copy)

InChI=1S/C24H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)27-22(24(29)30)18-21-19-25-20-26-21/h9-10,19-20,22H,2-8,11-18H2,1H3,(H,25,26)(H,27,28)(H,29,30)/b10-9-/t22-/m0/s1

SMILES (Click to copy)

C1(N=CNC=1)C[C@]([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)O

Other Databases

CHEBI ID

165544

PubChem CID

52922077

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 1

Rotatable Bonds 19

Van der Waals Molecular Volume 446.67

Topological Polar Surface Area 95.08

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 5.69

Molar Refractivity 121.75

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Created at

Updated at

20th Feb 2024