sarasinoside J (CHEBI:66173)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66173 - sarasinoside J

ChEBI ID	CHEBI:66173
ChEBI Name	sarasinoside J
Stars
Definition	A triterpenoid saponin isolated from the sponge Melophlus sarasinorum and has been shown to exhibit antimicrobial activity.
Last Modified	20 January 2014
Downloads	Molfile

Formula	C62H102N2O27
Net Charge	0
Average Mass	1307.485
Monoisotopic Mass	1306.66700
SMILES	[H][C@@]1(O[C@H]2[C@H](OC[C@H]3O[C@@]([H])(O[C@@H]4[C@@H](O)[C@H](O[C@]5([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)CO[C@@]4([H])O[C@H]4CC[C@]5(C)C6=C(CC[C@@]5([H])C4(C)C)[C@]4([H])CC[C@]([H])([C@H](C)CC(=O)CC(C)(C)O)[C@@]4(C)CC6)[C@H](NC(C)=O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C62H102N2O27/c1-25(18-28(70)19-59(4,5)81)30-11-12-31-29-10-13-38-60(6,7)39(15-17-62(38,9)32(29)14-16-61(30,31)8)89-58-52(46(75)37(24-83-58)88-54-40(63-26(2)68)47(76)42(71)33(20-65)84-54)90-55-41(64-27(3)69)48(77)45(74)36(87-55)23-82-57-53(50(79)44(73)35(22-67)86-57)91-56-51(80)49(78)43(72)34(21-66)85-56/h25,30-31,33-58,65-67,71-81H,10-24H2,1-9H3,(H,63,68)(H,64,69)/t25-,30-,31+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43-,44-,45-,46+,47-,48-,49+,50+,51-,52-,53-,54+,55+,56+,57-,58+,61-,62-/m1/s1
InChIKey	IFLLFJMUKCVLRY-KMTMZHINSA-N

Species of Metabolite	Component	Source	Comments
Melophlus sarasinorum (WORMS:169852)	-	PubMed (16124767)

Roles Classification

Biological Roles:

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	sarasinoside J (CHEBI:66173) has role antimicrobial agent (CHEBI:33281)
	sarasinoside J (CHEBI:66173) has role marine metabolite (CHEBI:76507)
	sarasinoside J (CHEBI:66173) is a amino pentasaccharide (CHEBI:59268)
	sarasinoside J (CHEBI:66173) is a tetracyclic triterpenoid (CHEBI:26893)
	sarasinoside J (CHEBI:66173) is a triterpenoid saponin (CHEBI:61778)

IUPAC Name
(3β,5α)-25-hydroxy-4,4-dimethyl-23-oxocholest-8-en-3-yl 2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→6)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)]-β-D-xylopyranoside

Synonym	Source
3β-O-[β-D-glucopyranosyl(1→2)-β-D-glucopyranosyl( 1→6)-β-D-N-acetyl-2-amino-glucopyranosyl(1→2)- β-D-xylopyranosyl(4→1)-β-D-N-acetyl-2-aminogalactopyranosyl]- 25-hydroxy-30-norlanosta-8(9)-en-23-one	ChEBI

Registry Numbers	Sources
Reaxys:15775202	Reaxys

Citations