Chemical Components in the PDB

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OLC : Summary

Code

OLC

One-letter code

X

Molecule name

(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

Synonyms

1-Oleoyl-R-glycerol

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
OpenEye OEToolkits 1.5.0 [(2R)-2,3-dihydroxypropyl] (Z)-octadec-9-enoate

Formula

C21 H40 O4

Formal charge

0

Molecular weight

356.54 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OCC(O)CO)CCCCCCC\C=C/CCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Canonical SMILES CACTVS 3.341 CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)CO
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O

IUPAC InChI

InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1

IUPAC InChI key

RZRNAYUHWVFMIP-GDCKJWNLSA-N
OLC

wwPDB Information

Atom count

65 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-05-22

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned