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CHEBI:228290 - astropectenol B

ChEBI IDCHEBI:228290
ChEBI Nameastropectenol B
Stars
Last Modified20 December 2023
SubmitterAdnan
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@]12C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)C4C1[C@]([H])(C2)OO[C@]4(O)C[C@]3([H])[C@H](C)CCCC(C)C
InChIInChI=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
InChIKeyIQLCMZPBNGEATL-OJWVPMFBSA-N
Species of MetaboliteComponentSourceComments
Astropecten polyacanthus (ncbitaxon:60560) - PubMed (24088696)
Roles Classification
Chemical Role:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
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