CHEBI:228291 - astropectenol A

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ChEBI Name astropectenol A
ChEBI ID CHEBI:228291
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O3
Net Charge 0
Average Mass 418.662
Monoisotopic Mass 418.34470
InChI InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)20-9-10-23-25(20,4)14-12-24-26(5)13-11-19(29)15-21(26)22(16-28)27(23,24)30/h16-24,29-30H,6-15H2,1-5H3/t18-,19+,20-,21?,22?,23?,24?,25-,26+,27-/m1/s1
InChIKey XZVFKHAABZAWQF-UEJQZEMRSA-N
SMILES [H]C(=O)C1C2CC(O)CCC2(C)C2CCC3(C)C(CCC3([H])C(C)CCCC(C)C)C12O
Metabolite of Species Details
Astropecten polyacanthus (NCBI:txid60560) See: PubMed
Roles Classification
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing astropectenol A (CHEBI:228291) has role animal metabolite (CHEBI:75767)
astropectenol A (CHEBI:228291) has role marine metabolite (CHEBI:76507)
astropectenol A (CHEBI:228291) is a 3β-hydroxy steroid (CHEBI:36836)
astropectenol A (CHEBI:228291) is a C27-steroid (CHEBI:131619)
astropectenol A (CHEBI:228291) is a steroid aldehyde (CHEBI:131565)
IUPAC Name
(3R,3aR,5bS,8S,10aR)-8,10a-dihydroxy-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]hexadecahydrocyclopenta[a]fluorene-10-carbaldehyde
Citations Waiting for Citations Types Sources
24088696 PubMed citation Europe PMC
24962391 PubMed citation Europe PMC
Last Modified
20 December 2023