CHEBI:228290 - astropectenol B

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ChEBI Name astropectenol B
ChEBI ID CHEBI:228290
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O4
Net Charge 0
Average Mass 434.661
Monoisotopic Mass 434.33961
InChI InChI=1S/C27H46O4/c1-16(2)7-6-8-17(3)21-15-27(29)24-23-20(10-12-26(21,24)5)25(4)11-9-19(28)13-18(25)14-22(23)30-31-27/h16-24,28-29H,6-15H2,1-5H3/t17-,18-,19+,20+,21-,22+,23?,24?,25+,26-,27-/m1/s1
InChIKey IQLCMZPBNGEATL-OJWVPMFBSA-N
SMILES [H]C1(CC2(O)OOC3([H])CC4([H])CC(O)CCC4(C)C4([H])CCC1(C)C2C34)C(C)CCCC(C)C
Metabolite of Species Details
Astropecten polyacanthus (NCBI:txid60560) See: PubMed
Roles Classification
Chemical Role(s): oxidising agent
A substance that removes electrons from another reactant in a redox reaction.
(via peroxides )
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 B (CHEBI:228290) has role animal metabolite (CHEBI:75767)
astropectenol B (CHEBI:228290) has role marine metabolite (CHEBI:76507)
astropectenol B (CHEBI:228290) is a 15α-hydroxy steroid (CHEBI:83147)
astropectenol B (CHEBI:228290) is a 3β-hydroxy steroid (CHEBI:36836)
astropectenol B (CHEBI:228290) is a C27-steroid (CHEBI:131619)
astropectenol B (CHEBI:228290) is a organic peroxide (CHEBI:25702)
IUPAC Name
(1R,2aR,4aS,5aR,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]hexadecahydro-2aH-3,4-dioxaindeno[6,7,1-mna]anthracene-2a,7-diol
Citations Waiting for Citations Types Sources
24088696 PubMed citation Europe PMC
34822521 PubMed citation Europe PMC
Last Modified
20 December 2023