CHEBI:65999 - halosterol B

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ChEBI Name halosterol B
ChEBI ID CHEBI:65999
Definition A 3β-hydroxy steroid that is (3β)-stigmasta-4,6-diene-3-ol with an additional hydroxy group at position 22 (the 22R stereoisomer). Isolated from the whole plants of Haloxylon recurvum, it exhibits chymotrypsin inhibitory activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H48O2
Net Charge 0
Average Mass 428.69020
Monoisotopic Mass 428.36543
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1
InChIKey CEUDUKDULPDRSW-JDVKSECFSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)C[C@@H](CC)C(C)C
Metabolite of Species Details
Haloxylon recurvum (IPNI:165851-1) Found in whole plant (BTO:0001461). See: PubMed
Roles Classification
Biological Role(s): EC 3.4.21.1 (chymotrypsin) inhibitor
An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of chymotrypsin (EC 3.4.21.1).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing halosterol B (CHEBI:65999) has parent hydride stigmastane (CHEBI:26773)
halosterol B (CHEBI:65999) has role EC 3.4.21.1 (chymotrypsin) inhibitor (CHEBI:64943)
halosterol B (CHEBI:65999) has role metabolite (CHEBI:25212)
halosterol B (CHEBI:65999) is a 22-hydroxy steroid (CHEBI:36863)
halosterol B (CHEBI:65999) is a 3β-hydroxy steroid (CHEBI:36836)
IUPAC Name
(3β,22R)-stigmasta-4,6-diene-3,22-diol
Synonym Source
(22R,24R)-24-ethyl-cholest-4,6-diene-3β,22-diol ChEBI
Registry Number Type Source
10396293 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16651755 PubMed citation Europe PMC
Last Modified
17 January 2023