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CHEBI:228293 - astropectenol D

ChEBI IDCHEBI:228293
ChEBI Nameastropectenol D
Stars
Last Modified20 December 2023
SubmitterAdnan
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@]1([C@H](C)CCCC(C)C)CCC2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C
InChIInChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-24-10-9-20-17-21(28)13-14-26(20,5)27(24,29)16-15-25(22,23)4/h10,18-23,28-29H,6-9,11-17H2,1-5H3/t19-,20?,21+,22-,23?,25-,26+,27-/m1/s1
InChIKeyJJJSDRCOEVDSMV-ASDXCJLOSA-N
Species of MetaboliteComponentSourceComments
Astropecten polyacanthus (ncbitaxon:60560) - PubMed (24088696)
Roles Classification
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 D (CHEBI:228293) has role animal metabolite (CHEBI:75767)
astropectenol D (CHEBI:228293) has role marine metabolite (CHEBI:76507)
astropectenol D (CHEBI:228293) is a 3β-hydroxy steroid (CHEBI:36836)
astropectenol D (CHEBI:228293) is a 9-hydroxy steroid (CHEBI:63644)
astropectenol D (CHEBI:228293) is a C27-steroid (CHEBI:131619)
IUPAC Name 
(14ξ)-cholest-7-ene-3β,9-diol
Citations