Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

LPX : Summary

Code

LPX

One-letter code

X

Molecule name

(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
OpenEye OEToolkits 1.5.0 [(2S)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-hydroxy-propyl] hexadecanoate

Formula

C21 H44 N O7 P

Formal charge

0

Molecular weight

453.55 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](O)(=O)OCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O

IUPAC InChI

InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1

IUPAC InChI key

YVYMBNSKXOXSKW-FQEVSTJZSA-N
LPX

wwPDB Information

Atom count

74 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-05-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned