CHEBI:70532 - (20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol

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ChEBI Name (20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol
ChEBI ID CHEBI:70532
Definition A natural product found in Melia toosendan.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C28H48O4
Net Charge 0
Average Mass 448.67830
Monoisotopic Mass 448.35526
InChI InChI=1S/C28H48O4/c1-16(2)17(3)7-12-28(6,32)25-23(31)15-21-24-20(9-11-27(21,25)5)26(4)10-8-19(29)13-18(26)14-22(24)30/h14,16-17,19-25,29-32H,7-13,15H2,1-6H3/t17-,19+,20+,21+,22-,23+,24-,25+,26+,27+,28+/m1/s1
InChIKey NAPNLPVMHUZNFG-BHTYWNIDSA-N
SMILES [H][C@]12CC[C@@]3(C)[C@@]([H])(C[C@H](O)[C@]3([H])[C@@](C)(O)CC[C@@H](C)C(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@]21C
Metabolite of Species Details
Melia toosendan (NCBI:txid71608) Found in fruit (BTO:0000486). 95% ethanolic extract of dried fruits See: PubMed
Roles Classification
Biological Role(s): 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 (20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol (CHEBI:70532) has role metabolite (CHEBI:25212)
(20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol (CHEBI:70532) is a ergostanoid (CHEBI:50403)
Citation Waiting for Citations Type Source
20961091 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:16beta-hydroxy steroid(CHEBI:17354); ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:7-hydroxy steroid(CHEBI:36844); ISA:steroid(CHEBI:35341); ISA:tertiary alcohol(CHEBI:26878); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822);