Chemical Components in the PDB

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8SU : Summary

Code

8SU

One-letter code

X

Molecule name

(~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid

Synonyms

PROSTAGLANDIN A2 (PGA2)

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid

Formula

C20 H30 O4

Formal charge

0

Molecular weight

334.45 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CC=CCCCC(O)=O
SMILES OpenEye OEToolkits 2.0.6 CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
Canonical SMILES CACTVS 3.385 CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O

IUPAC InChI

InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1

IUPAC InChI key

MYHXHCUNDDAEOZ-FOSBLDSVSA-N
8SU

wwPDB Information

Atom count

54 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-09-12

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned