CHEBI:3168 - Brassicasterol

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ChEBI Name Brassicasterol
ChEBI ID CHEBI:3168
Stars This entity has been manually annotated by a third party.
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Formula C28H46O
Net Charge 0
Average Mass 398.665
Monoisotopic Mass 398.355
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey OILXMJHPFNGGTO-ZAUYPBDWSA-N
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing Brassicasterol (CHEBI:3168) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3β,22E)-ergosta-5,22-dien-3-ol
Synonyms Sources
24(R)-Methylcholesta-5,22E-dien-3beta-ol HMDB
24-Methylcholesta-5,22-dien-3beta-ol HMDB
5,22-Ergostadien-3beta-ol HMDB
5,22-Ergostadienol HMDB
Brassicasterin HMDB
Brassicasterol KEGG COMPOUND
Ergosta-5,22(E)-dien-3beta-ol HMDB
Ergosta-5,22-dien-3beta-ol HMDB
Manual Xrefs Databases
Brassicasterol Wikipedia
C00003646 KNApSAcK
C08813 KEGG COMPOUND
HMDB0011181 HMDB
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Registry Number Type Source
474-67-9 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
15489546 PubMed citation Europe PMC
Last Modified
09 December 2015