Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

16Y : Summary

Code

16Y

One-letter code

X

Molecule name

16-hydroxyhexadecanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 16-hydroxyhexadecanoic acid
OpenEye OEToolkits 1.7.6 16-oxidanylhexadecanoic acid

Formula

C16 H32 O3

Formal charge

0

Molecular weight

272.423 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCCCCCCCCCCCCCCO
SMILES CACTVS 3.370 OCCCCCCCCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(CCCCCCCC(=O)O)CCCCCCCO
Canonical SMILES CACTVS 3.370 OCCCCCCCCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C(CCCCCCCC(=O)O)CCCCCCCO

IUPAC InChI

InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)

IUPAC InChI key

UGAGPNKCDRTDHP-UHFFFAOYSA-N
16Y

wwPDB Information

Atom count

51 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-22

Last modified at

2012-08-31

Status

Released

Obsoleted

Not Assigned