Chemical Components in the PDB

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UPL : Summary

Code

UPL

One-letter code

X

Molecule name

UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID

Systematic names

ProgramVersionName
ACDLabs 10.04 12-nonylpentacosane
OpenEye OEToolkits 1.5.0 (12S)-12-nonylpentacosane

Formula

C34 H70

Formal charge

0

Molecular weight

478.92 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC

IUPAC InChI

InChI=1S/C34H70/c1-4-7-10-13-16-18-19-21-24-27-30-33-34(31-28-25-22-15-12-9-6-3)32-29-26-23-20-17-14-11-8-5-2/h34H,4-33H2,1-3H3

IUPAC InChI key

QPCSNFPFMCVVAI-UHFFFAOYSA-N
UPL

wwPDB Information

Atom count

104 (34 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-06-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned