Chemical Components in the PDB

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FAW : Summary

Code

FAW

One-letter code

X

Molecule name

(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate
OpenEye OEToolkits 1.9.2 [(2S)-3-oxidanyl-2-tetradecanoyloxy-propyl] tetradecanoate

Formula

C31 H60 O5

Formal charge

0

Molecular weight

512.805 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
SMILES CACTVS 3.385 CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCC
SMILES OpenEye OEToolkits 1.9.2 CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC
Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
Canonical SMILES OpenEye OEToolkits 1.9.2 CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC

IUPAC InChI

InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1

IUPAC InChI key

JFBCSFJKETUREV-LJAQVGFWSA-N
FAW

wwPDB Information

Atom count

96 (36 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-04-14

Last modified at

2017-12-29

Status

Released

Obsoleted

Not Assigned