CHEBI:30997 - levoglucosan

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ChEBI Name levoglucosan
ChEBI ID CHEBI:30997
Definition A anhydrohexose that is the 1,6-anhydro-derivative of β-D-glucopyranose.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:86533
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Formula C6H10O5
Net Charge 0
Average Mass 162.141
Monoisotopic Mass 162.05282
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
SMILES O[C@@H]1[C@H]2CO[C@H](O2)[C@H](O)[C@H]1O
Metabolite of Species Details
Pseudomonas putida (NCBI:txid303) From MetaboLights See: MetaboLights Study
Lotus japonicus (NCBI:txid34305) From MetaboLights See: MetaboLights Study
Lotus japonicus (NCBI:txid34305) From MetaboLights See: MetaboLights Study
Lotus japonicus (NCBI:txid34305) From MetaboLights See: MetaboLights Study
Lotus japonicus (NCBI:txid34305) From MetaboLights See: MetaboLights Study
Lotus japonicus (NCBI:txid34305) From MetaboLights See: MetaboLights Study
Lotus japonicus (NCBI:txid34305) From MetaboLights See: MetaboLights Study
Populus deltoides (NCBI:txid3696) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) From MetaboLights See: MetaboLights Study
Saccharomyces cerevisiae (NCBI:txid4932) From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in feces (UBERON:0001988). From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). From MetaboLights See: MetaboLights Study
Sus scrofa domesticus (NCBI:txid9825) From MetaboLights See: MetaboLights Study
Roles Classification
Biological Role(s): Arabidopsis thaliana metabolite
Any plant metabolite that is produced by Arabidopsis thaliana.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 3-dehydrolevoglucosan (CHEBI:144894) has functional parent levoglucosan (CHEBI:30997)
IUPAC Names
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
1,6-anhydro-β-D-glucopyranose
Synonyms Sources
1,6-anhydro-β-D-glucose HMDB
1,6-Anhydro-beta-D-glucose ChemIDplus
1,6-Anhydro-beta-glucopyranose ChemIDplus
1,6-anhydroglucose HMDB
6,8-dioxabicyclo[3.2.1]octane, β-D-glucopyranose deriv HMDB
Glucosan HMDB
Leucoglucosan ChemIDplus
levoglucosan UniProt
Manual Xrefs Databases
4PW PDBeChem
C00007411 KNApSAcK
C22350 KEGG COMPOUND
CPD-12923 MetaCyc
FDB005117 FooDB
HMDB0000640 HMDB
Levoglucosan Wikipedia
View more database links
Registry Numbers Types Sources
498-07-7 CAS Registry Number NIST Chemistry WebBook
498-07-7 CAS Registry Number ChemIDplus
80998 Reaxys Registry Number Reaxys
80998 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
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Last Modified
18 May 2023