Chemical Components in the PDB

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OTT : Summary

Code

OTT

One-letter code

X

Molecule name

(2E,4E,6E)-octa-2,4,6-trienoic acid

Synonyms

2,4,6-OCTATRIENOIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 (2E,4E,6E)-octa-2,4,6-trienoic acid
OpenEye OEToolkits 1.7.0 (2E,4E,6E)-octa-2,4,6-trienoic acid

Formula

C8 H10 O2

Formal charge

0

Molecular weight

138.164 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)\C=C\C=C\C=C\C
SMILES CACTVS 3.370 CC=CC=CC=CC(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC=CC=CC=CC(=O)O
Canonical SMILES CACTVS 3.370 C/C=C/C=C/C=C/C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C/C=C/C=C/C=C/C(=O)O

IUPAC InChI

InChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2+,5-4+,7-6+

IUPAC InChI key

IAAPVNQZSBLWKH-ICDJNDDTSA-N
OTT

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-12-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned