Chemical Components in the PDB

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SEP : Summary

Code

SEP

One-letter code

S

Molecule name

PHOSPHOSERINE

Synonyms

PHOSPHONOSERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 O-phosphono-L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-phosphonooxy-propanoic acid

Formula

C3 H8 N O6 P

Formal charge

0

Molecular weight

185.072 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1

IUPAC InChI key

BZQFBWGGLXLEPQ-REOHCLBHSA-N
SEP

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned