Chemical Components in the PDB

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G8C : Summary

Code

G8C

One-letter code

X

Molecule name

1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octanoyloxy-propyl] octanoate

Formula

C21 H42 N O8 P

Formal charge

0

Molecular weight

467.534 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC
Canonical SMILES CACTVS 3.385 CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC

IUPAC InChI

InChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1

IUPAC InChI key

UNACBKDVIYEXSL-LJQANCHMSA-N
G8C

wwPDB Information

Atom count

73 (31 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-08-05

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned