CHEBI:176938 - Aldotetraouronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Aldotetraouronic acid
ChEBI ID CHEBI:176938
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O19
Net Charge 0
Average Mass 604.511
Monoisotopic Mass 604.18508
InChI InChI=1S/C22H36O19/c1-34-15-11(27)14(30)21(41-17(15)18(31)32)40-16-8(24)5(23)2-36-22(16)39-7-4-37-20(13(29)10(7)26)38-6-3-35-19(33)12(28)9(6)25/h5-17,19-30,33H,2-4H2,1H3,(H,31,32)/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14-,15+,16-,17+,19?,20+,21+,22+/m1/s1
InChIKey DWUMRQPTCMDVJD-NREUCUKASA-N
SMILES O([C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@H]2O[C@@H]([C@@H](OC)[C@H](O)[C@H]2O)C(O)=O)[C@H]3[C@H](O)[C@@H](O)[C@@H](OC3)O[C@H]4[C@H](O)[C@@H](O)C(OC4)O
Metabolite of Species Details
Streptococcus mutans (NCBI:txid1309) Found in biofilm (BTO:0002690). of strain Streptococcus mutans UA159 [NCBI:txid210007] See: MetaboLights Study
ChEBI Ontology
Outgoing Aldotetraouronic acid (CHEBI:176938) is a oligosaccharide (CHEBI:50699)
IUPAC Name
(2S,3S,4R,5R,6S)-6-[(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
Manual Xrefs Databases
30790754 ChemSpider
C20573 KEGG COMPOUND
View more database links