(9xi,14xi,25S)-cholestane-3beta,4beta,6alpha,7alpha,8,15alpha,16beta,26-octol (CHEBI:228370)

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CHEBI:228370 - (9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol

ChEBI ID	CHEBI:228370
ChEBI Name	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol
Stars
ASCII Name	(9xi,14xi,25S)-cholestane-3beta,4beta,6alpha,7alpha,8,15alpha,16beta,26-octol
Last Modified	4 January 2024
Submitter	Adnan
Downloads	Molfile

Formula	C27H48O8
Net Charge	0
Average Mass	500.673
Monoisotopic Mass	500.33492
SMILES	[H][C@]1([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](O)C2[C@@]3(O)C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)C1[C@@H](O)[C@H]3O
InChI	InChI=1S/C27H48O8/c1-13(12-28)6-5-7-14(2)17-20(31)22(33)23-26(17,4)11-9-16-25(3)10-8-15(29)19(30)18(25)21(32)24(34)27(16,23)35/h13-24,28-35H,5-12H2,1-4H3/t13-,14+,15-,16?,17-,18?,19-,20+,21+,22-,23?,24+,25+,26+,27-/m0/s1
InChIKey	VYOXQPQXOVKJIA-AXJIBWOSSA-N

Species of Metabolite	Component	Source	Comments
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:

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)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) has role animal metabolite (CHEBI:75767)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) has role marine metabolite (CHEBI:76507)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) is a 15α-hydroxy steroid (CHEBI:83147)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) is a 16β-hydroxy steroid (CHEBI:17354)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) is a 26-hydroxy steroid (CHEBI:36852)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) is a 3β-hydroxy steroid (CHEBI:36836)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) is a 4-hydroxy steroid (CHEBI:62846)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) is a 6α-hydroxy steroid (CHEBI:36850)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) is a 7α-hydroxy steroid (CHEBI:36843)
	(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370) is a 8-hydroxy steroid (CHEBI:139333)
Incoming Relation(s)
Incoming Relation(s)	(25S)-5alpha-cholestan-3beta,4beta,6alpha,7beta,8beta,15alpha,16beta,26-octol (CHEBI:187762) is a (9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol (CHEBI:228370)

IUPAC Name
(9ξ,14ξ,25S)-cholestane-3β,4β,6α,7α,8,15α,16β,26-octol