CHEBI:15574 - nuatigenin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nuatigenin
ChEBI ID CHEBI:15574
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:174, CHEBI:10850, CHEBI:7646, CHEBI:18529, CHEBI:57419
Supplier Information
Download Molfile XML SDF
Formula C27H42O4
Net Charge 0
Average Mass 430.61998
Monoisotopic Mass 430.30831
InChI InChI=1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey NELZMZLNTYWIPD-MLBSDYKWSA-N
SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@](C)(CO)O1)O2
ChEBI Ontology
Outgoing nuatigenin (CHEBI:15574) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
nuatigenin (CHEBI:15574) is a sapogenin (CHEBI:26606)
Incoming 26-desglucoavenacoside A (CHEBI:75932) has functional parent nuatigenin (CHEBI:15574)
26-desglucoavenacoside B (CHEBI:75931) has functional parent nuatigenin (CHEBI:15574)
avenacoside A (CHEBI:2937) has functional parent nuatigenin (CHEBI:15574)
avenacoside B (CHEBI:2938) has functional parent nuatigenin (CHEBI:15574)
nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) has functional parent nuatigenin (CHEBI:15574)
IUPAC Name
(22S,25S)-22,25-epoxyfurost-5-ene-3β,26-diol
Synonyms Sources
(20S,22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diol ChEBI
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol KEGG COMPOUND
nuatigenin UniProt
Nuatigenin KEGG COMPOUND
Manual Xrefs Databases
C00003581 KNApSAcK
C04715 KEGG COMPOUND
LMST01090001 LIPID MAPS
View more database links
Registry Number Type Source
6811-35-4 CAS Registry Number KEGG COMPOUND
Last Modified
25 April 2017