(Q27076468)

CHEMBL562679 (English)

3 October 2016

chemical formula

C₃₀H₃₂FO₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(CC)(C1=CC=CC=C1)C2=CC(=C(C=C2)C=CC(CC(CC(=O)[O-])O)O)C3=CC=C(C=C3)F

1 reference

CHEMBL562679 (English)

3 October 2016

isomeric SMILES

CCC(CC)(C1=CC=CC=C1)C2=CC(=C(C=C2)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F

1 reference

CHEMBL562679 (English)

InChI=1S/C30H33FO4/c1-3-30(4-2,23-8-6-5-7-9-23)24-14-10-21(13-17-26(32)19-27(33)20-29(34)35)28(18-24)22-11-15-25(31)16-12-22/h5-18,26-27,32-33H,3-4,19-20H2,1-2H3,(H,34,35)/p-1/b17-13+/t26-,27-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL562679 (English)

VICOOSNNZUPVHM-IGPZRPDBSA-M

3 October 2016

InChIKey

1 reference

CHEMBL562679 (English)

3 October 2016

1 reference

(3R,5S,6E)-7-[4'-Fluoro-5-(3-phenyl-3-pentanyl)-2-biphenylyl]-3,5-dihydroxy-6-heptenoate (English)

3 October 2016

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

CHEMBL562679 (English)

3 October 2016

1 reference

8 February 2021

1 reference

Guide to Pharmacology Ligand ID

2997

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2997

compound 25d [PMID: 19502059] (English)