CHEBI:228301 - asterasterol C

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ChEBI Name asterasterol C
ChEBI ID CHEBI:228301
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H42O6S
Net Charge 0
Average Mass 494.690
Monoisotopic Mass 494.27021
InChI InChI=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
InChIKey KDUVNRKZGYTTJS-NZUZQIPGSA-N
SMILES [H][C@@]1(CCC2C3=CC(=O)[C@@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C)[C@H](C)\C=C\CC(C)COS(O)(=O)=O
Metabolite of Species Details
Asteriidae (NCBI:txid7600) See: DOI
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 C ChEBI
Registry Number Type Source
193008-27-4 CAS Registry Number ChEBI
Last Modified
21 December 2023
General Comment
2023-12-21 Relevant article: https://doi.org/10.1016/S0040-4020(97)00531-0