CHEBI:156557 - beraprost(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name beraprost(1−)
ChEBI ID CHEBI:156557
ChEBI ASCII Name beraprost(1-)
Definition A monocarboxylic acid anion that is conjugate base of beraprost, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1745254, ZINC000000529951
Download Molfile XML SDF
Formula C24H29O5
Net Charge -1
Average Mass 397.492
Monoisotopic Mass 397.20205
InChI InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/p-1/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1
InChIKey CTPOHARTNNSRSR-APJZLKAGSA-M
SMILES [H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC([O-])=O)=CC=C1
ChEBI Ontology
Outgoing beraprost(1−) (CHEBI:156557) is a monocarboxylic acid anion (CHEBI:35757)
beraprost(1−) (CHEBI:156557) is conjugate base of beraprost (CHEBI:135633)
Incoming beraprost sodium (CHEBI:31270) has part beraprost(1−) (CHEBI:156557)
beraprost (CHEBI:135633) is conjugate acid of beraprost(1−) (CHEBI:156557)
IUPAC Name
4-{(1R,2R,3aS,8bS)-2-hydroxy-1-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoate
Synonym Source
beraprost anion ChEBI
Last Modified
29 September 2020