Chemical Components in the PDB

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E4P : Summary

Code

E4P

One-letter code

X

Molecule name

ERYTHOSE-4-PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3R)-2,3-dihydroxy-4-oxobutyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 [(2R,3R)-2,3-dihydroxy-4-oxo-butyl] dihydrogen phosphate

Formula

C4 H9 O7 P

Formal charge

0

Molecular weight

200.084 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)C(O)C=O
SMILES CACTVS 3.341 O[CH](CO[P](O)(O)=O)[CH](O)C=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(C=O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H](CO[P](O)(O)=O)[C@@H](O)C=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H]([C@H](C=O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1

IUPAC InChI key

NGHMDNPXVRFFGS-IUYQGCFVSA-N
E4P

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Saccharide

Type description

SACCHARIDE

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned