CHEBI:79385 - YW3548

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name YW3548
ChEBI ID CHEBI:79385
Definition A terpene lactone that is obtained from Codinea simplex and acts as an inhibitor of glycerophosphoinositol biosynthesis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C34H54O7
Net Charge 0
Average Mass 574.78840
Monoisotopic Mass 574.38695
InChI InChI=1S/C34H54O7/c1-10-19(4)14-33(9,38)17-28(35)41-27-16-32(8)15-24-20(5)11-12-25-22(7)40-31(37)30(36)34(25,39)21(6)23(24)13-26(32)29(27)18(2)3/h11,18-19,22-27,29-30,36,38-39H,6,10,12-17H2,1-5,7-9H3/b20-11-/t19?,22-,23+,24+,25-,26-,27+,29+,30+,32-,33?,34+/m1/s1
InChIKey WYHGVXYOQWYOQA-WHRQVDIESA-N
SMILES CCC(C)CC(C)(O)CC(=O)O[C@H]1C[C@@]2(C)C[C@@H]3[C@@H](C[C@@H]2[C@@H]1C(C)C)C(=C)[C@@]1(O)[C@@H](O)C(=O)O[C@H](C)[C@H]1C\C=C3\C
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
glycerophosphoinositol synthesis inhibitor
A pathway inhibitor that disrupts the synthesis of glycerophosphoinositol
View more via ChEBI Ontology
ChEBI Ontology
Outgoing YW3548 (CHEBI:79385) has role fungal metabolite (CHEBI:76946)
YW3548 (CHEBI:79385) has role glycerophosphoinositol synthesis inhibitor (CHEBI:79386)
YW3548 (CHEBI:79385) is a olefinic compound (CHEBI:78840)
YW3548 (CHEBI:79385) is a terpene lactone (CHEBI:37668)
YW3548 (CHEBI:79385) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(1R,4R,4aR,6Z,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,13a-dihydroxy-11-isopropyl-4,7,8a-trimethyl-13-methylene-2-oxo-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydroindeno[5',6':4,5]cycloocta[1,2-c]pyran-10-yl 3-hydroxy-3,5-dimethylheptanoate
Synonyms Sources
YW 3548 ChEBI
YW-3548 ChEBI
Citations Waiting for Citations Types Sources
10574991 PubMed citation Europe PMC
17947228 PubMed citation Europe PMC
9351820 PubMed citation Europe PMC
9576863 PubMed citation Europe PMC
Last Modified
25 July 2014