Chemical Components in the PDB

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MUN : Summary

Code

MUN

One-letter code

X

Molecule name

[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate

Synonyms

MONOUNDECENOIN

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate

Formula

C14 H26 O4

Formal charge

0

Molecular weight

258.354 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCCC=CC(=O)OC[CH](O)CO
SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCC=CC(=O)OCC(CO)O
Canonical SMILES CACTVS 3.385 CCCCCCCC/C=C/C(=O)OC[C@@H](O)CO
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCCCC/C=C/C(=O)OC[C@H](CO)O

IUPAC InChI

InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h9-10,13,15-16H,2-8,11-12H2,1H3/b10-9+/t13-/m0/s1

IUPAC InChI key

INMIULFREHIAOX-LXKVQUBZSA-N
MUN

wwPDB Information

Atom count

44 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned