sarasinoside J (CHEBI:66173)

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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:

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

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

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