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CHEBI:168045 - 24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol

ChEBI IDCHEBI:168045
ChEBI Name24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O3
Net Charge0
Average Mass364.570
Monoisotopic Mass364.29775
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CC)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C23H40O3/c1-5-13(2)16-6-7-17-21-18(12-20(26)23(16,17)4)22(3)9-8-15(24)10-14(22)11-19(21)25/h13-21,24-26H,5-12H2,1-4H3/t13-,14+,15-,16-,17+,18+,19-,20+,21+,22+,23-/m1/s1
InChIKeyHOGZQSSVBGJUMW-ZTSBSJDLSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol (CHEBI:168045) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Manual XrefsDatabases
LMST04060008LIPID MAPS
393133ChemSpider
BNCPDBeChem