CHEBI:167861 - Terpestacin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Terpestacin
ChEBI ID CHEBI:167861
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O4
Net Charge 0
Average Mass 402.575
Monoisotopic Mass 402.27701
InChI InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13-,18-10-/t19-,20-,21+,25+/m1/s1
InChIKey UTGBBPSEQPITLF-QMDQJFAJSA-N
SMILES O=C1C(O)=C([C@@H](CO)C)[C@@H]2[C@@]1(CC=C(CCC=C(C)CC[C@@H](C(=CC2)C)O)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Terpestacin (CHEBI:167861) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
Manual Xref Database
4947322 ChemSpider
View more database links
Registry Number Type Source
146436-22-8 CAS Registry Number ChemIDplus