Chemical Components in the PDB

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I7F : Summary

Code

I7F

One-letter code

S

Molecule name

O-hydroxy-L-serine

Synonyms

(2S)-2-amino-3-hydroperoxypropanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-3-(dioxidanyl)propanoic acid

Formula

C3 H7 N O4

Formal charge

0

Molecular weight

121.092 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](COO)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(C(C(=O)O)N)OO
Canonical SMILES CACTVS 3.385 N[C@@H](COO)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@@H](C(=O)O)N)OO

IUPAC InChI

InChI=1S/C3H7NO4/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

IUPAC InChI key

DDEVLGCTAOXXGJ-REOHCLBHSA-N
I7F

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2022-02-17

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned