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CHEBI:166835 - tachysterol 3

ChEBI IDCHEBI:166835
ChEBI Nametachysterol 3
Stars
DefinitionA hydroxy seco-steroid that results from the photoisomerization of previtamin D3.
Last Modified27 November 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC=C2/C=C/C1=C(C)CC[C@H](O)C1
InChIInChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12+/t21-,24+,25-,26+,27-/m1/s1
InChIKeyYUGCAAVRZWBXEQ-FMCTZRJNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) skin (BTO:0001253) PubMed (6256855)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
tachysterol 3 (CHEBI:166835) has role human metabolite (CHEBI:77746)
tachysterol 3 (CHEBI:166835) is a hydroxy seco-steroid (CHEBI:36853)
tachysterol 3 (CHEBI:166835) is a seco-cholestane (CHEBI:36818)
tachysterol 3 (CHEBI:166835) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3S,6E)-9,10-secocholesta-5(10),6,8-trien-3-ol
Synonyms  Source
(6E)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-olLIPID MAPS
tachysterol3ChemIDplus
(3β,6E)-9,10-secocholesta-5(10),6,8-trien-3-olChemIDplus
(6E)-9,10-secocholesta-5(10),6,8-trien-3β-olChEBI
tachysterol3ChEBI
tacalciolChEBI
UniProt Name  Source
tachysterol 3UniProt
Manual XrefsDatabases
LMST03020223LIPID MAPS
HMDB0006560HMDB
4446802ChemSpider
FDB023972FooDB
Registry NumbersSources
CAS:17592-07-3ChemIDplus
Citations