Chemical Components in the PDB

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XPN : Summary

Code

XPN

One-letter code

X

Molecule name

Baeocystin

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate

Formula

C11 H15 N2 O4 P

Formal charge

0

Molecular weight

270.222 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
SMILES OpenEye OEToolkits 2.0.7 CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
Canonical SMILES OpenEye OEToolkits 2.0.7 CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O

IUPAC InChI

InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)

IUPAC InChI key

WTPBXXCVZZZXKR-UHFFFAOYSA-N
XPN

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-08

Last modified at

2024-03-29

Status

Released

Obsoleted

Not Assigned