Chemical Components in the PDB

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F7Q : Summary

Code

F7Q

One-letter code

Y

Molecule name

(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid

Formula

C9 H11 N O5

Formal charge

0

Molecular weight

213.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CC1(OO)C=CC(=O)C=C1)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C1=CC(C=CC1=O)(CC(C(=O)O)N)OO
Canonical SMILES CACTVS 3.385 N[C@@H](CC1(OO)C=CC(=O)C=C1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO

IUPAC InChI

InChI=1S/C9H11NO5/c10-7(8(12)13)5-9(15-14)3-1-6(11)2-4-9/h1-4,7,14H,5,10H2,(H,12,13)/t7-/m0/s1

IUPAC InChI key

ASMCASJKXVEEBU-ZETCQYMHSA-N
F7Q

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

TYR

Defined at

2018-06-07

Last modified at

2019-02-22

Status

Released

Obsoleted

Not Assigned