levoglucosan (CHEBI:30997)

CHEBI:30997 - levoglucosan

ChEBI ID	CHEBI:30997
ChEBI Name	levoglucosan
Stars
Definition	A anhydrohexose that is the 1,6-anhydro-derivative of β-D-glucopyranose.
Secondary ChEBI ID	CHEBI:86533
Last Modified	18 May 2023
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C6H10O5
Net Charge	0
Average Mass	162.141
Monoisotopic Mass	162.05282
SMILES	O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O
WURCS	WURCS=2.0/1,1,0/[a2122h-1b_1-5_1-6]/1/
InChI	InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKey	TWNIBLMWSKIRAT-VFUOTHLCSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	-	PubMed (19165390)
	urine (BTO:0001419)	PubMed (21389975)
	faeces (UBERON:0001988)	PubMed (22411374)
	-	MetaboLights (MTBLS290)	From MetaboLights
	feces (UBERON:0001988)	MetaboLights (MTBLS290)	From MetaboLights
	urine (BTO:0001419)	MetaboLights (MTBLS290)	From MetaboLights
Pseudomonas putida (ncbitaxon:303)	-	MetaboLights (MTBLS320)	From MetaboLights
Populus deltoides (ncbitaxon:3696)	-	MetaboLights (MTBLS332)	From MetaboLights
Lotus japonicus (ncbitaxon:34305)
	-	MetaboLights (MTBLS14)	From MetaboLights
	-	MetaboLights (MTBLS15)	From MetaboLights
	-	MetaboLights (MTBLS43)	From MetaboLights
	-	MetaboLights (MTBLS54)	From MetaboLights
	-	MetaboLights (MTBLS16)	From MetaboLights
	-	MetaboLights (MTBLS44)	From MetaboLights
Arabidopsis thaliana (ncbitaxon:3702)
	-	MetaboLights (MTBLS12)	From MetaboLights
	-	MetaboLights (MTBLS11)	From MetaboLights
	-	MetaboLights (MTBLS13)	From MetaboLights
	-	MetaboLights (MTBLS42)	From MetaboLights
	-	MetaboLights (MTBLS41)	From MetaboLights
	-	MetaboLights (MTBLS45)	From MetaboLights
	-	MetaboLights (MTBLS40)	From MetaboLights
	-	MetaboLights (MTBLS22)	From MetaboLights
	-	MetaboLights (MTBLS7)	From MetaboLights
Saccharomyces cerevisiae (ncbitaxon:4932)	-	MetaboLights (MTBLS8)	From MetaboLights
Sus scrofa domesticus (ncbitaxon:9825)	-	MetaboLights (MTBLS123)	From MetaboLights

Roles Classification

Biological Roles:	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana.
Application:	biomarker A substance used as an indicator of a biological state.

ChEBI Ontology

Outgoing Relation(s)
	levoglucosan (CHEBI:30997) has role Arabidopsis thaliana metabolite (CHEBI:140602)
	levoglucosan (CHEBI:30997) has role biomarker (CHEBI:59163)
	levoglucosan (CHEBI:30997) has role human metabolite (CHEBI:77746)
	levoglucosan (CHEBI:30997) is a anhydrohexose (CHEBI:22557)
Incoming Relation(s)
Incoming Relation(s)	3-dehydrolevoglucosan (CHEBI:144894) has functional parent levoglucosan (CHEBI:30997)

IUPAC Names
1,6-anhydro-β-D-glucopyranose
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

UniProt Name	Source
levoglucosan	UniProt

Citations