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CHEBI:137057 - cholesta-5,7-dien-3β,25-diol

ChEBI IDCHEBI:137057
ChEBI Namecholesta-5,7-dien-3β,25-diol
Stars
ASCII Namecholesta-5,7-dien-3beta,25-diol
DefinitionA cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 25.
Last Modified8 August 2017
Submitternhn
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,18,20,22-24,28-29H,6-7,10-17H2,1-5H3/t18-,20+,22-,23+,24+,26+,27-/m1/s1
InChIKeyJJFYNCJHSCTBPW-TVQCKQBJSA-N
Species of MetaboliteComponentSourceComments
Manduca sexta (ncbitaxon:7130) - PubMed (9014337)
Homo sapiens (ncbitaxon:9606) - PubMed (25017465)
Drosophila melanogaster (ncbitaxon:7227) - PubMed (11476936)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (WO2011067144)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
cholesta-5,7-dien-3β,25-diol (CHEBI:137057) has functional parent cholesta-5,7-dien-3β-ol (CHEBI:17759)
cholesta-5,7-dien-3β,25-diol (CHEBI:137057) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
cholesta-5,7-dien-3β,25-diol (CHEBI:137057) has role human metabolite (CHEBI:77746)
cholesta-5,7-dien-3β,25-diol (CHEBI:137057) is a 25-hydroxy steroid (CHEBI:36864)
cholesta-5,7-dien-3β,25-diol (CHEBI:137057) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
cholesta-5,7-dien-3β,25-diol (CHEBI:137057) is a C27-steroid (CHEBI:131619)
cholesta-5,7-dien-3β,25-diol (CHEBI:137057) is a cholestanoid (CHEBI:50401)
IUPAC Name 
cholesta-5,7-dien-3β,25-diol
Synonyms  Source
25-OH-7-DHCSUBMITTER
25-Hydroxyprovitamin D3ChemIDplus
Cholesta-5,7-diene-3beta,25-diolChemIDplus
7-Dehydro-25-hydroxycholesterolChemIDplus
25-Hydroxy-7-dehydrocholesterolChemIDplus
(3β)-cholesta-5,7-diene-3,25-diolIUPAC
UniProt Name  Source
cholesta-5,7-dien-3β,25-diolUniProt
Manual XrefsDatabases
WO9321204Patent
WO2011067144Patent
Registry NumbersSources
Reaxys:5122777Reaxys
CAS:22145-68-2ChemIDplus
Citations