Chemical Components in the PDB

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E7Y : Summary

Code

E7Y

One-letter code

X

Molecule name

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

Synonyms

N-arachidonoylethanolamine

Systematic names

ProgramVersionName
ACDLabs 12.01 (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
OpenEye OEToolkits 2.0.6 (5~{Z},8~{Z},11~{Z},14~{Z})-~{N}-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

Formula

C22 H37 N O2

Formal charge

0

Molecular weight

347.535 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(NCCO)CCC[C@H]=CC\C=C/C[C@H]=CC[C@H]=CCCCCC
SMILES CACTVS 3.385 CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
SMILES OpenEye OEToolkits 2.0.6 CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
Canonical SMILES CACTVS 3.385 CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCC(=O)NCCO
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO

IUPAC InChI

InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-

IUPAC InChI key

LGEQQWMQCRIYKG-DOFZRALJSA-N
E7Y

wwPDB Information

Atom count

62 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-07

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned