CHEBI:172954 - Sucrose_13C12

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sucrose_13C12
ChEBI ID CHEBI:172954
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula [13C]12H22O11
Net Charge 0
Average Mass 354.205
Monoisotopic Mass 354.15647
InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
InChIKey CZMRCDWAGMRECN-UHSKIMHLSA-N
SMILES O1[13C@@](O[13C@H]2O[13C@@H]([13C@@H](O)[13C@H](O)[13C@H]2O)[13CH2]O)([13C@@H](O)[13C@H](O)[13C@H]1[13CH2]O)[13CH2]O
Metabolite of Species Details
Reference compound Found in pure substance (CHEBI:60003). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Sucrose_13C12 (CHEBI:172954) is a 13C-modified compound (CHEBI:139357)
Sucrose_13C12 (CHEBI:172954) is a glycoside (CHEBI:24400)
IUPAC Name
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]oxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxane-3,4,5-triol
Manual Xref Database
57268872 ChemSpider
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Last Modified
30 August 2023