Chemical Components in the PDB

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5YM : Summary

Code

5YM

One-letter code

X

Molecule name

(Z)-N-(2-hydroxyethyl)octadec-9-enamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (~{Z})-~{N}-(2-hydroxyethyl)octadec-9-enamide

Formula

C20 H39 N O2

Formal charge

0

Molecular weight

325.529 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCCC=CCCCCCCCC(=O)NCCO
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCC=CCCCCCCCC(=O)NCCO
Canonical SMILES CACTVS 3.385 CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCC/C=C\CCCCCCCC(=O)NCCO

IUPAC InChI

InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-

IUPAC InChI key

BOWVQLFMWHZBEF-KTKRTIGZSA-N
5YM

wwPDB Information

Atom count

62 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-08-25

Last modified at

2022-05-13

Status

Released

Obsoleted

Not Assigned