Chemical Components in the PDB

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OMA : Summary

Code

OMA

One-letter code

X

Molecule name

10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid
OpenEye OEToolkits 1.7.6 10-[(1R,2R)-2-[(E)-hex-2-enyl]cyclopropyl]decanoic acid

Formula

C19 H34 O2

Formal charge

0

Molecular weight

294.472 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCCCCCCCCC1CC1C/C=C/CCC
SMILES CACTVS 3.385 CCCC=CC[CH]1C[CH]1CCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 CCCC=CCC1CC1CCCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.385 CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C19H34O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h4,10,17-18H,2-3,5-9,11-16H2,1H3,(H,20,21)/b10-4+/t17-,18+/m0/s1

IUPAC InChI key

MGOIQHKBDDJUJK-XVSUHRFUSA-N
OMA

wwPDB Information

Atom count

55 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-05-07

Last modified at

2015-05-01

Status

Released

Obsoleted

Not Assigned