3-dehydrolevoglucosan (CHEBI:144894)

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CHEBI:144894 - 3-dehydrolevoglucosan

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ChEBI ID	CHEBI:144894
ChEBI Name	3-dehydrolevoglucosan
Stars
Last Modified	18 May 2023
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C6H8O5
Net Charge	0
Average Mass	160.125
Monoisotopic Mass	160.03717
SMILES	O=C1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O
WURCS	WURCS=2.0/1,1,0/[a2O22h-1b_1-5_1-6]/1/
InChI	InChI=1S/C6H8O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-3,5-7,9H,1H2/t2-,3-,5-,6-/m1/s1
InChIKey	METXFULYFGSWDE-MNEPWGMJSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-dehydrolevoglucosan (CHEBI:144894) has functional parent levoglucosan (CHEBI:30997)
	3-dehydrolevoglucosan (CHEBI:144894) is a anhydrohexose (CHEBI:22557)

IUPAC Name
(1R,2R,4S,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one

Synonyms	Source
3-keto-levoglucosan	ChEBI
3-ketolevoglucosan	ChEBI

UniProt Name	Source
3-dehydrolevoglucosan	UniProt

Manual Xrefs	Databases
C22351	KEGG COMPOUND

Citations