Structure Database (LMSD)

Common Name
N-arachidonoyl tyrosine
Systematic Name
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-tyrosine
Synonyms
  • EMA-10
  • Elmiric acid
LM ID
LMFA08020076
Formula
C29H41NO4
Exact Mass
Calculate m/z
467.303559
Sum Composition
NATyr 20:4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
QUMCPEFSPGOHMM-CYPURTGSSA-N
InChi (Click to copy)
InChI=1S/C29H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)30-27(29(33)34)24-25-20-22-26(31)23-21-25/h6-7,9-10,12-13,15-16,20-23,27,31H,2-5,8,11,14,17-19,24H2,1H3,(H,30,32)(H,33,34)/b7-6-,10-9-,13-12-,16-15-/t27-/m0/s1
SMILES (Click to copy)
C([C@H](CC1C=CC(O)=CC=1)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)O

Other Databases

CHEBI ID
165533
PubChem CID
42607332

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 1
Aromatic Rings 1
Rotatable Bonds 18
Van der Waals Molecular Volume 509.40
Topological Polar Surface Area 86.63
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.94
Molar Refractivity 140.29

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Created at
-
Updated at
19th Feb 2024