Chemical Components in the PDB

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STE : Summary

Code

STE

One-letter code

X

Molecule name

STEARIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 octadecanoic acid
OpenEye OEToolkits 1.5.0 octadecanoic acid

Formula

C18 H36 O2

Formal charge

0

Molecular weight

284.477 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCCCCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

IUPAC InChI key

QIQXTHQIDYTFRH-UHFFFAOYSA-N
STE

wwPDB Information

Atom count

56 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned