Chemical Components in the PDB

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SGB : Summary

Code

SGB

One-letter code

S

Molecule name

O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 O-[(S)-methyl(1-methylethoxy)phosphoryl]-L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(methyl-propan-2-yloxy-phosphoryl)oxy-propanoic acid

Formula

C7 H16 N O5 P

Formal charge

0

Molecular weight

225.179 Da

SMILES

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

IUPAC InChI

InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1

IUPAC InChI key

RQYSKTURKPPJTP-MDAAJZPYSA-N
SGB

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2007-02-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned