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CHEBI:156557 - beraprost(1−)

ChEBI IDCHEBI:156557
ChEBI Nameberaprost(1−)
Stars
ASCII Nameberaprost(1-)
DefinitionA monocarboxylic acid anion that is conjugate base of beraprost, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified29 September 2020
SubmitterAdnan
DownloadsMolfile
FormulaC24H29O5
Net Charge-1
Average Mass397.491
Monoisotopic Mass397.20205
SMILES[H][C@]12c3cccc(CCCC(=O)[O-])c3O[C@@]1([H])C[C@@H](O)[C@]2([H])/C=C/[C@@H](O)C(C)CC#CC
InChIInChI=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
InChIKeyCTPOHARTNNSRSR-APJZLKAGSA-M
ChEBI Ontology
Outgoing Relation(s)
beraprost(1−) (CHEBI:156557) is a monocarboxylic acid anion (CHEBI:35757)
beraprost(1−) (CHEBI:156557) is conjugate base of beraprost (CHEBI:135633)
Incoming Relation(s)
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 anionChEBI