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CHEBI:219811 - (2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid

Default Structure
ChEBI IDCHEBI:219811
ChEBI Name(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O7
Net Charge0
Average Mass400.512
Monoisotopic Mass400.24610
SMILESCC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1)OC(=O)[C@@H](C)[C@H]1CC[C@@H](C[C@H](C)O)O1
InChIInChI=1S/C21H36O7/c1-5-15(11-17-7-8-18(27-17)13(3)20(23)24)28-21(25)14(4)19-9-6-16(26-19)10-12(2)22/h12-19,22H,5-11H2,1-4H3,(H,23,24)/t12-,13+,14-,15-,16-,17-,18+,19+/m0/s1
InChIKeyLAHVNDBOZVIZMO-QCDRYKFJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces globisporus (ncbitaxon:1908) - DOI (10.1016/j.tet.2004.04.006)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid (CHEBI:219811) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid
Manual XrefsDatabases
9558938ChemSpider