Chemical Components in the PDB

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XIP : Summary

Code

XIP

One-letter code

X

Molecule name

4-(4-aminostyryl)benzoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[2-(4-aminophenyl)ethenyl]benzoic acid

Formula

C15 H13 N O2

Formal charge

0

Molecular weight

239.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ccc(cc1)C=Cc2ccc(cc2)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C=Cc2ccc(cc2)N)C(=O)O
Canonical SMILES CACTVS 3.385 Nc1ccc(cc1)\C=C/c2ccc(cc2)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C=Cc2ccc(cc2)N)C(=O)O

IUPAC InChI

InChI=1S/C15H13NO2/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10H,16H2,(H,17,18)

IUPAC InChI key

XLNJCEOZYNLROH-UHFFFAOYSA-N
XIP

wwPDB Information

Atom count

31 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-11-02

Last modified at

2024-03-15

Status

Released

Obsoleted

Not Assigned