CHEBI:187484 - 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic 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 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid
ChEBI ID CHEBI:187484
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H46O13
Net Charge 0
Average Mass 554.630
Monoisotopic Mass 554.29384
InChI InChI=1S/C25H46O13/c1-2-3-4-5-6-7-8-9-10-11-14(23(33)34)36-25-22(32)20(30)18(28)16(38-25)13-35-24-21(31)19(29)17(27)15(12-26)37-24/h14-22,24-32H,2-13H2,1H3,(H,33,34)/t14-,15?,16?,17-,18-,19-,20-,21?,22?,24+,25+/m0/s1
InChIKey MBOSFCFYOLTTNJ-QHEQQTTKSA-N
SMILES O1C([C@H](O)[C@H](O)C(O)[C@@H]1O[C@@H](CCCCCCCCCCC)C(O)=O)CO[C@@H]2OC([C@H](O)[C@H](O)C2O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid (CHEBI:187484) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
(2S)-2-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxytridecanoic acid
Manual Xref Database
LMFA13010048 LIPID MAPS
View more database links