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CHEBI:228368 - sodium (9ξ,14ξ,25S)-3β,5,6β,16β,26-pentahydroxy-5α,8ξ-cholestan-15α-yl sulfate

ChEBI IDCHEBI:228368
ChEBI Namesodium (9ξ,14ξ,25S)-3β,5,6β,16β,26-pentahydroxy-5α,8ξ-cholestan-15α-yl sulfate
Stars
ASCII Namesodium (9xi,14xi,25S)-3beta,5,6beta,16beta,26-pentahydroxy-5alpha,8xi-cholestan-15alpha-yl sulfate
Last Modified4 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC27H47O9S.Na
Net Charge0
Average Mass570.721
Monoisotopic Mass570.28385
SMILES[H][C@]1([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](OS(=O)(=O)[O-])C2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C.[Na+]
InChIInChI=1S/C27H48O9S.Na/c1-15(14-28)6-5-7-16(2)21-23(31)24(36-37(33,34)35)22-18-12-20(30)27(32)13-17(29)8-11-26(27,4)19(18)9-10-25(21,22)3;/h15-24,28-32H,5-14H2,1-4H3,(H,33,34,35);/q;+1/p-1/t15-,16+,17-,18?,19?,20+,21-,22?,23+,24+,25+,26+,27-;/m0./s1
InChIKeyPBROQOHDHUXSEC-FXJKTJHOSA-M
Species of MetaboliteComponentSourceComments
Rosaster (ncbitaxon:556858) Whole Organism (NCIT:C13413) Article (Bruno I., Minale, L., and Riccio, R., and La Barre, S. & Laurent, D. (1990) Isolation and structure of new polyhydroxylated sterols from a deep-water starfish of the genus Rosaster. Gazzetta Chimica Italiana, 120, 449-451.)
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)
sodium (9ξ,14ξ,25S)-3β,5,6β,16β,26-pentahydroxy-5α,8ξ-cholestan-15α-yl sulfate (CHEBI:228368) has role animal metabolite (CHEBI:75767)
sodium (9ξ,14ξ,25S)-3β,5,6β,16β,26-pentahydroxy-5α,8ξ-cholestan-15α-yl sulfate (CHEBI:228368) has role marine metabolite (CHEBI:76507)
sodium (9ξ,14ξ,25S)-3β,5,6β,16β,26-pentahydroxy-5α,8ξ-cholestan-15α-yl sulfate (CHEBI:228368) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (9ξ,14ξ,25S)-3β,5,6β,16β,26-pentahydroxy-5α,8ξ-cholestan-15α-yl sulfate
Synonym  Source
(25S)-5α-cholestane-3β,5α,6β,15α,16β,26-hexol 15-sulphateChEBI