Chemical Components in the PDB

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SAC : Summary

Code

SAC

One-letter code

S

Molecule name

N-ACETYL-SERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-acetyl-L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-acetamido-3-hydroxy-propanoic acid

Formula

C5 H9 N O4

Formal charge

0

Molecular weight

147.129 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1

IUPAC InChI key

JJIHLJJYMXLCOY-BYPYZUCNSA-N
SAC

wwPDB Information

Atom count

19 (10 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