Chemical Components in the PDB

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OPE : Summary

Code

OPE

One-letter code

X

Molecule name

PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER

Synonyms

COLAMINE PHOSPHORIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-aminoethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 2-aminoethyl dihydrogen phosphate

Formula

C2 H8 N O4 P

Formal charge

0

Molecular weight

141.063 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCCN
SMILES CACTVS 3.341 NCCO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(COP(=O)(O)O)N
Canonical SMILES CACTVS 3.341 NCCO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(COP(=O)(O)O)N

IUPAC InChI

InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)

IUPAC InChI key

SUHOOTKUPISOBE-UHFFFAOYSA-N
OPE

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned