CHEBI:208233 - Abscisterol B

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ChEBI Name Abscisterol B
ChEBI ID CHEBI:208233
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O2
Net Charge 0
Average Mass 398.631
Monoisotopic Mass 398.31848
InChI InChI=1S/C27H42O2/c1-18(2)19(3)6-5-7-20-9-11-24-23-10-8-21-16-22(29)12-15-27(21,17-28)25(23)13-14-26(20,24)4/h7,10,18,21-22,24-25,28-29H,3,5-6,8-9,11-17H2,1-2,4H3/b20-7+/t21-,22-,24-,25-,26+,27+/m0/s1
InChIKey VDLHLHQWKDREBM-VMLMXJRYSA-N
SMILES O[C@@H]1C[C@H]2[C@]([C@@H]3C([C@H]4[C@](/C(=C/CCC(=C)C(C)C)/CC4)(C)CC3)=CC2)(CO)CC1
Metabolite of Species Details
Cryptosporiopsis (NCBI:txid108533) See: DOI
Roles Classification
Biological Role(s): androgen
A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
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ChEBI Ontology
Outgoing Abscisterol B (CHEBI:208233) has role androgen (CHEBI:50113)
Abscisterol B (CHEBI:208233) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(3S,5S,9S,10R,13S,14S,17E)-10-(hydroxymethyl)-13-methyl-17-(5-methyl-4-methylidenehexylidene)-1,2,3,4,5,6,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
Manual Xref Database
78438444 ChemSpider
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