eurysterol B (CHEBI:65889)

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CHEBI:65889 - eurysterol B

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ChEBI ID	CHEBI:65889
ChEBI Name	eurysterol B
Stars
Definition	An organic sodium salt that is monosodium salt of eurysterol B sulfonic acid. Isolated from an undescribed marine sponge of the genus Euryspongia collected in Palau, it is cytotoxic and exhibits antifungal activity against both amphotericin B-resistant and wild-type strains of Candida albicans.
Last Modified	4 October 2012
Downloads	Molfile

Formula	C27H43O7S.Na
Net Charge	0
Average Mass	534.691
Monoisotopic Mass	534.26272
SMILES	[H][C@@]12CC[C@]([H])([C@H](C)/C=C/CC(C)C)[C@@]1(C)CC[C@]1([H])[C@@]34CC[C@H](OS(=O)(=O)[O-])C[C@]3(O)[C@H](O)C[C@@]21OC4.[Na+]
InChI	InChI=1S/C27H44O7S.Na/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25;/h5,7,17-23,28-29H,6,8-16H2,1-4H3,(H,30,31,32);/q;+1/p-1/b7-5+;/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+;/m1./s1
InChIKey	OZULCLLLPIEFBL-FUPZROSBSA-M

Species of Metabolite	Component	Source	Comments
Euryspongia (WORMS:164976)	-	PubMed (17378608)

Roles Classification

Biological Roles:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	eurysterol B (CHEBI:65889) has parent hydride 5α-cholestane (CHEBI:35515)
	eurysterol B (CHEBI:65889) has part eurysterol B(1−) (CHEBI:68593)
	eurysterol B (CHEBI:65889) has role antifungal agent (CHEBI:35718)
	eurysterol B (CHEBI:65889) has role antineoplastic agent (CHEBI:35610)
	eurysterol B (CHEBI:65889) has role metabolite (CHEBI:25212)
	eurysterol B (CHEBI:65889) is a organic sodium salt (CHEBI:38700)

IUPAC Name
sodium(3β,5α,6β,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl sulfate

Synonym	Source
sodium (22E)-5α-cholest-22-en-8,19-epoxy-3β,5,6β-triol-3-sulphate	ChEBI

Registry Numbers	Sources
Reaxys:11166279	Reaxys

Citations