CHEBI:176484 - 4-O-alpha-Galactopyranuronosyl-galacturonic acid

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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 4-O-alpha-Galactopyranuronosyl-galacturonic acid
ChEBI ID CHEBI:176484
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18O13
Net Charge 0
Average Mass 370.263
Monoisotopic Mass 370.07474
InChI InChI=1S/C12H18O13/c13-1-2(14)3(15)8(7(19)10(20)21)24-12-6(18)4(16)5(17)9(25-12)11(22)23/h1-9,12,14-19H,(H,20,21)(H,22,23)/t2-,3+,4-,5+,6+,7-,8+,9-,12-/m0/s1
InChIKey SYBQLSSECRIKMJ-GYIVVZTQSA-N
SMILES O1[C@H](O[C@H]([C@H](O)[C@@H](O)C=O)[C@H](O)C(O)=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-O-alpha-Galactopyranuronosyl-galacturonic acid (CHEBI:176484) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name
(2S,3R,4S,5R,6S)-6-[(1S,2R,3R,4R)-1-carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
62989777 ChemSpider
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