CHEBI:185713 - 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid

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ChEBI Name 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
ChEBI ID CHEBI:185713
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H64O10
Net Charge 0
Average Mass 656.898
Monoisotopic Mass 656.44995
InChI InChI=1S/C36H64O10/c1-5-8-11-14-15-18-21-24-31(39)46-35-34(42)33(41)27(4)43-36(35)45-29(23-20-17-13-10-7-3)26-32(40)44-28(25-30(37)38)22-19-16-12-9-6-2/h21,24,27-29,33-36,41-42H,5-20,22-23,25-26H2,1-4H3,(H,37,38)/b24-21+/t27?,28?,29?,33-,34?,35-,36?/m0/s1
InChIKey LCKJKDMAMQKASH-GHXRWXCRSA-N
SMILES O1C(OC(CCCCCCC)CC(OC(CCCCCCC)CC(O)=O)=O)[C@@H](OC(=O)/C=C/CCCCCCC)C(O)[C@@H](O)C1C
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 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid (CHEBI:185713) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3-[3-[(3S,5R)-3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
Manual Xref Database
LMFA13030004 LIPID MAPS
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