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CHEBI:228292 - astropectenol C

ChEBI IDCHEBI:228292
ChEBI Nameastropectenol C
Stars
Last Modified20 December 2023
SubmitterAdnan
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@]1([C@H](C)CCCC(C)C)CC=C2[C@]34O[C@@]3(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1CC4=O
InChIInChI=1S/C27H42O3/c1-17(2)7-6-8-18(3)21-9-10-22-24(21,4)13-14-26-25(5)12-11-20(28)15-19(25)16-23(29)27(22,26)30-26/h10,17-21,28H,6-9,11-16H2,1-5H3/t18-,19?,20+,21-,24-,25+,26+,27-/m1/s1
InChIKeyZYNABBZEOWILAN-YOJGVGMFSA-N
Species of MetaboliteComponentSourceComments
Astropecten polyacanthus (ncbitaxon:60560) - PubMed (24088696)
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
astropectenol C (CHEBI:228292) has role animal metabolite (CHEBI:75767)
astropectenol C (CHEBI:228292) has role marine metabolite (CHEBI:76507)
astropectenol C (CHEBI:228292) is a 3β-hydroxy steroid (CHEBI:36836)
astropectenol C (CHEBI:228292) is a 7-oxo steroid (CHEBI:47789)
astropectenol C (CHEBI:228292) is a C27-steroid (CHEBI:131619)
astropectenol C (CHEBI:228292) is a epoxy steroid (CHEBI:145217)
IUPAC Name 
3β-hydroxy-8α-8,9-epoxycholest-14-en-7-one
Citations