CHEBI:176174 - 9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate

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 9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate
ChEBI ID CHEBI:176174
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000072128478
Download Molfile XML SDF
Formula C24H42O10
Net Charge 0
Average Mass 490.590
Monoisotopic Mass 490.27780
InChI InChI=1S/C24H42O10/c1-2-3-4-5-8-11-14-17(16(25)13-10-7-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m0/s1
InChIKey OERHNMHLKBHOMH-GRIBZEQKSA-N
SMILES O([C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O)[C@H]([C@@H](O)CCCCCCCC(O)=O)C/C=C\CCCCC
ChEBI Ontology
Outgoing 9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate (CHEBI:176174) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name
(2S,3R,4S,5S,6S)-6-[(Z,9S,10S)-17-carboxy-10-hydroxyheptadec-6-en-9-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
30778540 ChemSpider
HMDB0060121 HMDB
View more database links