Chemical Components in the PDB

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ULW : Summary

Code

ULW

One-letter code

X

Molecule name

[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate

Formula

C22 H35 N O4

Formal charge

0

Molecular weight

377.518 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)CCCC(C)=CCCC(C)=CCOC(=O)CCN1C(=O)CCC1=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)CCCC(=CCCC(=CCOC(=O)CCN1C(=O)CCC1=O)C)C
Canonical SMILES CACTVS 3.385 CC(C)CCCC(\C)=C/CCC(/C)=C\COC(=O)CCN1C(=O)CCC1=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C

IUPAC InChI

InChI=1S/C22H35NO4/c1-17(2)7-5-8-18(3)9-6-10-19(4)14-16-27-22(26)13-15-23-20(24)11-12-21(23)25/h9,14,17H,5-8,10-13,15-16H2,1-4H3/b18-9-,19-14-

IUPAC InChI key

UEVQPHSWLLGCMH-WALGPUPZSA-N
ULW

wwPDB Information

Atom count

62 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-03-01

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned