Chemical Components in the PDB

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SBG : Summary

Code

SBG

One-letter code

S

Molecule name

O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE

Systematic names

ProgramVersionName
ACDLabs 12.01 O-[(S)-hydroxy(methyl)phosphoryl]-L-serine
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-3-[methyl(oxidanyl)phosphoryl]oxy-propanoic acid

Formula

C4 H10 N O5 P

Formal charge

0

Molecular weight

183.1 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(OCC(C(=O)O)N)(O)C
SMILES CACTVS 3.370 C[P](O)(=O)OC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CP(=O)(O)OCC(C(=O)O)N
Canonical SMILES CACTVS 3.370 C[P](O)(=O)OC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[P@](=O)(O)OC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C4H10NO5P/c1-11(8,9)10-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1

IUPAC InChI key

GQKAGYTWOXMURY-VKHMYHEASA-N
SBG

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

Yes

Standard parent

SER

Defined at

2007-02-13

Last modified at

2012-06-12

Status

Released

Obsoleted

Not Assigned