Chemical Components in the PDB

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FTT : Summary

Code

FTT

One-letter code

X

Molecule name

3-HYDROXY-TETRADECANOIC ACID

Synonyms

3-HYDROXY-MYRISTIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 (3R)-3-hydroxytetradecanoic acid
OpenEye OEToolkits 1.7.6 (3R)-3-oxidanyltetradecanoic acid

Formula

C14 H28 O3

Formal charge

0

Molecular weight

244.37 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CC(O)CCCCCCCCCCC
SMILES CACTVS 3.370 CCCCCCCCCCC[CH](O)CC(O)=O
SMILES OpenEye OEToolkits 1.7.6 CCCCCCCCCCCC(CC(=O)O)O
Canonical SMILES CACTVS 3.370 CCCCCCCCCCC[C@@H](O)CC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCCCCCCCCC[C@H](CC(=O)O)O

IUPAC InChI

InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1

IUPAC InChI key

ATRNZOYKSNPPBF-CYBMUJFWSA-N
FTT

wwPDB Information

Atom count

45 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned