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CHEBI:134260 - TX-1875

ChEBI IDCHEBI:134260
ChEBI NameTX-1875
Stars
DefinitionA semisynthetic derivative obtained by alkaline hydrolysis of the macrocyclic lactone ring of brefeldin A.
Last Modified20 April 2022
Submittergemma
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILES[H][C@@]1([C@H](O)/C=C/C(=O)O)C[C@@H](O)C[C@H]1/C=C/CCC[C@H](C)O
InChIInChI=1S/C16H26O5/c1-11(17)5-3-2-4-6-12-9-13(18)10-14(12)15(19)7-8-16(20)21/h4,6-8,11-15,17-19H,2-3,5,9-10H2,1H3,(H,20,21)/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1
InChIKeyJFMRAARESGPLQF-KQPMLPITSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
TX-1875 (CHEBI:134260) has functional parent brefeldin A (CHEBI:48080)
TX-1875 (CHEBI:134260) is a 4-hydroxy monocarboxylic acid (CHEBI:35970)
TX-1875 (CHEBI:134260) is a alicyclic compound (CHEBI:33654)
TX-1875 (CHEBI:134260) is a secondary allylic alcohol (CHEBI:134396)
TX-1875 (CHEBI:134260) is a semisynthetic derivative (CHEBI:72588)
TX-1875 (CHEBI:134260) is a triol (CHEBI:27136)
TX-1875 (CHEBI:134260) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
(2E,4R)-4-hydroxy-4-{(1R,2S,4S)-4-hydroxy-2-[(1E,6S)-6-hydroxyhept-1-en-1-yl]cyclopentyl}but-2-enoic acid
Synonyms  Source
brefeldin A seco-acidChEBI
BFA seco-acidChEBI
Registry NumbersSources
Reaxys:7646570Reaxys
Citations