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CHEBI:15574 - nuatigenin

Default Structure
ChEBI IDCHEBI:15574
ChEBI Namenuatigenin
Stars
Secondary ChEBI IDsCHEBI:174, CHEBI:7646, CHEBI:10850, CHEBI:18529, CHEBI:57419
Last Modified25 April 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@@](C)(CO)O3)[C@@H](C)[C@]12[H]
InChIInChI=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
InChIKeyNELZMZLNTYWIPD-MLBSDYKWSA-N
ChEBI Ontology
Outgoing Relation(s)
nuatigenin (CHEBI:15574) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
nuatigenin (CHEBI:15574) is a sapogenin (CHEBI:26606)
Incoming Relation(s)
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  Source
(20S,22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diolChEBI
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diolKEGG COMPOUND
NuatigeninKEGG COMPOUND
UniProt Name  Source
nuatigeninUniProt
Manual XrefsDatabases
C00003581KNApSAcK
C04715KEGG COMPOUND
C04715KEGG COMPOUND
LMST01090001LIPID MAPS
Registry NumbersSources
CAS:6811-35-4KEGG COMPOUND