Chemical Components in the PDB

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LAP : Summary

Code

LAP

One-letter code

X

Molecule name

[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM

Synonyms

L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL

Systematic names

ProgramVersionName
ACDLabs 10.04 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide
OpenEye OEToolkits 1.5.0 2-[[(2R)-3-dodecanoyloxy-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium

Formula

C20 H43 N O7 P

Formal charge

1

Molecular weight

440.532 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+](C)(C)C
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+](C)(C)C
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O

IUPAC InChI

InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1

IUPAC InChI key

BWKILASWCLJPBO-UHFFFAOYSA-O
LAP

wwPDB Information

Atom count

72 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-09-02

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned