CHEBI:34312 - 2S,3R-Didecanoyl-docosane-2,3-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2S,3R-Didecanoyl-docosane-2,3-diol
ChEBI ID CHEBI:34312
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C42H82O4
Net Charge 0
Average Mass 651.100
Monoisotopic Mass 650.62131
InChI InChI=1S/C42H82O4/c1-5-8-11-14-17-18-19-20-21-22-23-24-25-26-29-30-33-36-40(46-42(44)38-35-32-28-16-13-10-7-3)39(4)45-41(43)37-34-31-27-15-12-9-6-2/h39-40H,5-38H2,1-4H3/t39-,40+/m0/s1
InChIKey HUAWYSBBXLTGLE-IOLBBIBUSA-N
SMILES CCCCCCCCCCCCCCCCCCC[C@@H](OC(=O)CCCCCCCCC)[C@H](C)OC(=O)CCCCCCCCC
ChEBI Ontology
Outgoing 2S,3R-Didecanoyl-docosane-2,3-diol (CHEBI:34312) is a carboxylic ester (CHEBI:33308)
Synonym Source
2S,3R-Didecanoyl-docosane-2,3-diol KEGG COMPOUND
Manual Xref Database
C13822 KEGG COMPOUND
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Last Modified
28 July 2014