CHEBI:80530 - 3beta,5beta-Ketotriol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta,5beta-Ketotriol
ChEBI ID CHEBI:80530
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H44O4
Net Charge 0
Average Mass 432.63590
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-20,22,28,30-31H,6-15H2,1-5H3/t17-,18+,19-,20+,22+,25-,26-,27-/m1/s1
InChIKey CRCTVUFFBCIURJ-DJHAZVFJSA-N
SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 3beta,5beta-Ketotriol (CHEBI:80530) is a cholestanoid (CHEBI:50401)
Synonyms Sources
2,22-Dideoxyecdysone KEGG COMPOUND
2,22-dideoxyecdysone UniProt
Manual Xref Database
C16494 KEGG COMPOUND
View more database links
Last Modified
06 November 2017