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CHEBI:89982 - 8-Dehydrocholesterol

ChEBI IDCHEBI:89982
ChEBI Name8-Dehydrocholesterol
Stars
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)CCC1=C2CC=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1
InChIKeyVUKORTMHZDZZFR-BXAZICILSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
cerebrospinal fluid (UBERON:0001359) PubMed (9266395)
blood (UBERON:0000178) PubMed (10947201)
ChEBI Ontology
Outgoing Relation(s)
8-Dehydrocholesterol (CHEBI:89982) is a steroid (CHEBI:35341)
Synonyms  Source
3b-Cholesta-5,8-dien-3-olHMDB
(2S,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),7-dien-5-olHMDB
Manual XrefsDatabases
HMDB0002027HMDB
Registry NumbersSources
CAS:70741-38-7KEGG COMPOUND
Citations