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CHEBI:7777 - ophiobolin A

ChEBI IDCHEBI:7777
ChEBI Nameophiobolin A
Stars
DefinitionA sesterterpenoid that is ophiobolane with a hydroxy group at position 3, oxo groups at positions 5 and 25, double bonds at positions 7-8 and 19-20, and an oxygen link between positions 14 and 18.
Last Modified23 February 2021
DownloadsMolfile
FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILES[H][C@@]12C/C=C(/C=O)[C@@]3([H])C(=O)C[C@@](C)(O)[C@@]3([H])C[C@@]1(C)CC[C@@]21O[C@@]([H])(C=C(C)C)C[C@@H]1C
InChIInChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22+,23+,24+,25-/m0/s1
InChIKeyMWYYLZRWWNBROW-BDZRSQQBSA-N
ChEBI Ontology
Outgoing Relation(s)
ophiobolin A (CHEBI:7777) has parent hydride ophiobolane (CHEBI:36552)
ophiobolin A (CHEBI:7777) is a cyclic ketone (CHEBI:3992)
ophiobolin A (CHEBI:7777) is a enal (CHEBI:51688)
ophiobolin A (CHEBI:7777) is a oxaspiro compound (CHEBI:37948)
ophiobolin A (CHEBI:7777) is a sesterterpenoid (CHEBI:26660)
ophiobolin A (CHEBI:7777) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(18R)-3-hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al
Synonyms  Source
Ophiobolin AKEGG COMPOUND
(18R)-14,18-epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-alChemIDplus
ophiobolinChemIDplus
cochliobolinChemIDplus
cochliobolin AChemIDplus
UniProt Name  Source
ophiobolin AUniProt
Manual XrefsDatabases
C09145KEGG COMPOUND
LMPR0105050001LIPID MAPS
C00003460KNApSAcK
Registry NumbersSources
Beilstein:48792Beilstein
CAS:4611-05-6KEGG COMPOUND
CAS:4611-05-6ChemIDplus