CHEBI:65640 - clathsterol

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ChEBI Name clathsterol
ChEBI ID CHEBI:65640
Definition An organic sodium salt which is the disodium salt of clathsterol disulfonic acid. It is obtained from the extract of a sponge Clathria sp. and acts as an inhibitor of HIV-1 reverse transcriptase (RT).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H64Na2O15S2
Net Charge 0
Average Mass 883.02600
Monoisotopic Mass 882.34820
InChI InChI=1S/C39H66O15S2.2Na/c1-10-13-30(41)51-35(36(25(12-3)21(4)5)52-31(42)14-11-2)22(6)32-34(43)37(50-23(7)40)33-26-16-15-24-19-28(53-55(44,45)46)29(54-56(47,48)49)20-39(24,9)27(26)17-18-38(32,33)8;;/h21-22,24-29,32-37,43H,10-20H2,1-9H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/t22-,24?,25?,26+,27-,28-,29-,32-,33+,34+,35?,36?,37+,38+,39-;;/m0../s1
InChIKey HACDCFFQGRQGEQ-FYVHBMJCSA-L
SMILES [Na+].[Na+].[H][C@@]12CCC3C[C@H](OS([O-])(=O)=O)[C@H](C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@H](C)C(OC(=O)CCC)C(OC(=O)CCC)C(CC)C(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@]21[H])OS([O-])(=O)=O
Metabolite of Species Details
Clathria (NCBI:txid81539) MeOH-EtOAc extract See: PubMed
Roles Classification
Biological Role(s): HIV-1 reverse transcriptase inhibitor
An entity which inhibits the activity of HIV-1 reverse transcriptase.
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 clathsterol (CHEBI:65640) has part clathsterol(2−) (CHEBI:68597)
clathsterol (CHEBI:65640) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
clathsterol (CHEBI:65640) has role metabolite (CHEBI:25212)
clathsterol (CHEBI:65640) is a butyrate ester (CHEBI:50477)
clathsterol (CHEBI:65640) is a organic sodium salt (CHEBI:38700)
IUPAC Name
disodium (2α,3β,15α,16β,24ξ)-15-(acetyloxy)-22,23-bis(butanoyloxy)-16-hydroxystigmastane-2,3-diyl disulfate
Registry Number Type Source
8967792 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11720531 PubMed citation Europe PMC
Last Modified
26 August 2015