CHEBI:176173 - 10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide

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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 10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide
ChEBI ID CHEBI:176173
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H42O10
Net Charge 0
Average Mass 490.590
Monoisotopic Mass 490.27780
InChI InChI=1S/C24H42O10/c1-2-3-4-5-7-10-13-16(25)17(14-11-8-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h7,10,16-17,19-22,24-25,28-30H,2-6,8-9,11-15H2,1H3,(H,26,27)(H,31,32)/b10-7-/t16-,17-,19-,20+,21-,22-,24-/m1/s1
InChIKey IRADJQUIAYBZPY-WKVBQAANSA-N
SMILES O([C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](CCCCCCCC(O)=O)[C@H](O)C/C=C\CCCCC
ChEBI Ontology
Outgoing 10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide (CHEBI:176173) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name
(2R,3S,4R,5R,6R)-6-[(Z,8R,9R)-1-carboxy-9-hydroxyheptadec-11-en-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
30778539 ChemSpider
HMDB0060120 HMDB
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