1-(alpha-D-glucosyl)-3-keto-(1,27R)-octacosanediol (CHEBI:132492)

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CHEBI:132492 - 1-(α-D-glucosyl)-3-keto-(1,27R)-octacosanediol

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ChEBI ID	CHEBI:132492
ChEBI Name	1-(α-D-glucosyl)-3-keto-(1,27R)-octacosanediol
Stars
ASCII Name	1-(alpha-D-glucosyl)-3-keto-(1,27R)-octacosanediol
Definition	An α-D-glucoside that is (27R)-1,27-dihydroxyoctacosan-3-one on which the hydroxyl hydrogen at position 1 has been replaced by an α-D-glucosyl residue.
Last Modified	13 January 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C34H66O8
Net Charge	0
Average Mass	602.894
Monoisotopic Mass	602.47577
SMILES	C[C@@H](O)CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C34H66O8/c1-28(36)23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-29(37)25-26-41-34-33(40)32(39)31(38)30(27-35)42-34/h28,30-36,38-40H,2-27H2,1H3/t28-,30-,31-,32+,33-,34+/m1/s1
InChIKey	HOQFSYQZOYFFAM-FAWNWTIBSA-N

Species of Metabolite	Component	Source	Comments
Calanus helgolandicus (ncbitaxon:114068)
	-	MetaboLights (MTBLS91)
	-	PubMed (26364855)

Roles Classification

Biological Role:

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

ChEBI Ontology

Outgoing Relation(s)
	1-(α-D-glucosyl)-3-keto-(1,27R)-octacosanediol (CHEBI:132492) has role marine metabolite (CHEBI:76507)
	1-(α-D-glucosyl)-3-keto-(1,27R)-octacosanediol (CHEBI:132492) is a ketone (CHEBI:17087)
	1-(α-D-glucosyl)-3-keto-(1,27R)-octacosanediol (CHEBI:132492) is a monosaccharide derivative (CHEBI:63367)
	1-(α-D-glucosyl)-3-keto-(1,27R)-octacosanediol (CHEBI:132492) is a α-D-glucoside (CHEBI:22390)

IUPAC Name
(27R)-27-hydroxy-3-oxooctacosyl α-D-glucopyranoside

Synonym	Source
1-(O-α-D-glucopyranosyl)-3-keto-(1,27R)-octacosanediol	LIPID MAPS

Manual Xrefs	Databases
LMFA13010019	LIPID MAPS

Registry Numbers	Sources
Reaxys:7575829	Reaxys

Citations