Chemical Components in the PDB

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PAM : Summary

Code

PAM

One-letter code

X

Molecule name

PALMITOLEIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (9Z)-hexadec-9-enoic acid
OpenEye OEToolkits 1.5.0 (Z)-hexadec-9-enoic acid

Formula

C16 H30 O2

Formal charge

0

Molecular weight

254.408 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCCC\C=C/CCCCCC
SMILES CACTVS 3.341 CCCCCCC=CCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCC=CCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.341 CCCCCC\C=C/CCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCC\C=C/CCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-

IUPAC InChI key

SECPZKHBENQXJG-FPLPWBNLSA-N
PAM

wwPDB Information

Atom count

48 (18 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