Package name: (Z)-tetracos-15-enoic acid

Package ID: 2009
Force-field: OPLS-AA | Code: Gromacs
Created by Bogdan Iorga (biorga)
Created at 2016-09-03 23:08:34
Modified at 2016-09-03 23:08:34


The topology was generated using MOL2FF.

Chemical structure

General view

Detailed view


No citations associated with these parameters.

Reference validation values

These are experimental values or high-level quantum mechanics values, which will be used for comparison with computed values (found in individual versions).

Files and history

All deposited versions are available and can be downloaded individually. Higher version numbers are more recent. Files that changed between versions can be identified by differing SHA1 hash checksums.

Version 1 created at 2016-09-03

Score 1/5 "These parameters are not validated yet"

Computed validation values

preprocessor output "grompp-compatible"
Created at 2016-09-03 23:08:34 | Modified at 2016-10-29 12:09:10 | [download zip]
Type Description Hash (SHA1)
Topology NER-neutral.itp c7e8ade6b6509f0667db2835981d51e50312aebf
Structure NER-neutral.pdb b1d69a175cb167f2a7cedeaad3ab1be4e16da2a9

Compound details

Ligand code NER
Molecule identifier 8E8825630D25FE3D
Displayed name (Z)-tetracos-15-enoic acid
Canonical IUPAC name (Z)-tetracos-15-enoic acid
Formula C24H46O2
Molecular weight 366.63
Charge 0
Number of atoms 72
PubChem CID 5281120
CAS RN 506-37-6
Other names (Z)-tetracos-15-enoic acid • 506-37-6 • (Z)-15-Tetracosenoic acid • C08323 • Nervonic acid • 15Z-tetracosenoic acid • LMFA01030092 • cis-15-tetracosenoic acid • N1514_SIGMA • cis-selacholeic acid • 15-Tetracosenoic acid • (15Z)-tetracos-15-enoic acid • CHEBI:44247 • cis-Delta(15)-tetracosenoic acid • (15Z)-Tetracosenoic acid • Selacholeic acid • 87117_FLUKA


Type CC BY-SA – Creative Commons Attribution-Share Alike License
Name Bogdan I. Iorga
Email (hidden)
Source MOL2FF (