PDB Chemical Component MPG

Ideal Model

Chemical Description

Name 1-MONOOLEOYL-RAC-GLYCEROL
Formula C21 H40 O4
Formal charge 0
Molecular weight 356.540 g/mol
Component type NON-POLYMER

Chemical features

Atom count 65
Chiral atom count 1
Chiral atoms CXD
Bond count 64
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (9Z)-octadec-9-en-1-yl (2R)-2,3-dihydroxypropanoate
Systematic name (OpenEye OEToolkits) [(Z)-octadec-9-enyl] (2R)-2,3-dihydroxypropanoate

Chemical Descriptors

Stereo SMILES (CACTVS) CCCCCCCC\C=C/CCCCCCCCOC(=O)[C@H](O)CO
SMILES (CACTVS) CCCCCCCCC=CCCCCCCCCOC(=O)[CH](O)CO
Stereo SMILES (OpenEye) CCCCCCCC\C=C/CCCCCCCCOC(=O)[C@@H](CO)O
InChI descriptor InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
InChIKey descriptor JPJYKWFFJCWMPK-GDCKJWNLBJ

Status Information

Last modified 2008-10-14
Created 2000-04-17
Release status REL
Model PDB code 1E12
Processing site EBI