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CHEBI:228301 - asterasterol C

ChEBI IDCHEBI:228301
ChEBI Nameasterasterol C
Stars
Last Modified21 December 2023
SubmitterAdnan
DownloadsMolfile
FormulaC27H42O6S
Net Charge0
Average Mass494.694
Monoisotopic Mass494.27021
SMILES[H][C@]12C[C@H](O)CC[C@]1(C)C1CC[C@@]3(C)C(CC[C@]3([H])[C@H](C)/C=C/CC(C)COS(=O)(=O)O)C1=CC2=O
InChIInChI=1S/C27H42O6S/c1-17(16-33-34(30,31)32)6-5-7-18(2)21-8-9-22-20-15-25(29)24-14-19(28)10-12-27(24,4)23(20)11-13-26(21,22)3/h5,7,15,17-19,21-24,28H,6,8-14,16H2,1-4H3,(H,30,31,32)/b7-5+/t17?,18-,19-,21-,22?,23?,24-,26-,27-/m1/s1
InChIKeyKDUVNRKZGYTTJS-NZUZQIPGSA-N
Species of MetaboliteComponentSourceComments
Asteriidae (ncbitaxon:7600) - DOI (10.1016/S0040-4020(97)00531-0)
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)
asterasterol C (CHEBI:228301) has role animal metabolite (CHEBI:75767)
asterasterol C (CHEBI:228301) has role marine metabolite (CHEBI:76507)
asterasterol C (CHEBI:228301) is a 3α-hydroxy steroid (CHEBI:36835)
asterasterol C (CHEBI:228301) is a 6-oxo steroid (CHEBI:36883)
asterasterol C (CHEBI:228301) is a C27-steroid (CHEBI:131619)
asterasterol C (CHEBI:228301) is a sulfooxy steroid (CHEBI:52035)
IUPAC Name 
(9ξ,14ξ,22E)-3α-hydroxy-6-oxo-5α-cholesta-7,22-dien-26-yl hydrogen sulfate
Synonym  Source
(+)-asterasterol CChEBI
Registry NumbersSources
CAS:193008-27-4ChEBI