Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DLP : Summary

Code

DLP

One-letter code

X

Molecule name

1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
OpenEye OEToolkits 1.5.0 [(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] 2-trimethylazaniumylethyl phosphate

Formula

C44 H80 N O8 P

Formal charge

0

Molecular weight

782.082 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCC\C=C/C\C=C/CCCCC
SMILES CACTVS 3.341 CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
Canonical SMILES CACTVS 3.341 CCCCC/C=C\C\C=C/CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC

IUPAC InChI

InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1

IUPAC InChI key

FVXDQWZBHIXIEJ-LNDKUQBDSA-N
DLP

wwPDB Information

Atom count

134 (54 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-05-13

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned