Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

L1P : Summary

Code

L1P

One-letter code

X

Molecule name

3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL

Synonyms

1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 [(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] dihydrogen phosphate

Formula

C43 H89 O6 P

Formal charge

0

Molecular weight

733.137 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
SMILES CACTVS 3.341 CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C
SMILES OpenEye OEToolkits 1.5.0 CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Canonical SMILES CACTVS 3.341 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P](O)(O)=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

IUPAC InChI

InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1

IUPAC InChI key

UKQGAMWGTOTQPC-ALOLAALWSA-N
L1P

wwPDB Information

Atom count

139 (50 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-22

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned