Chemical Components in the PDB

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X2W : Summary

Code

X2W

One-letter code

E

Molecule name

N-ACETYL-L-GLUTAMYL 5-PHOSPHATE

Synonyms

N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline
OpenEye OEToolkits 1.6.1 (2S)-2-acetamido-5-oxo-5-phosphonooxy-pentanoic acid

Formula

C7 H12 N O8 P

Formal charge

0

Molecular weight

269.146 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C
SMILES CACTVS 3.352 CC(=O)N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.6.1 CC(=O)NC(CCC(=O)OP(=O)(O)O)C(=O)O
Canonical SMILES CACTVS 3.352 CC(=O)N[C@@H](CCC(=O)O[P](O)(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O

IUPAC InChI

InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1

IUPAC InChI key

FCVIHFVSXHOPSW-YFKPBYRVSA-N
X2W

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLU

Defined at

2010-01-18

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned