CHEBI:186305 - 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid

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ChEBI Name 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
ChEBI ID CHEBI:186305
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C42H74O14
Net Charge 0
Average Mass 803.040
Monoisotopic Mass 802.50786
InChI InChI=1S/C42H74O14/c1-6-9-12-15-16-19-22-25-33(45)55-39-37(49)35(47)29(5)52-42(39)56-40-38(50)36(48)28(4)51-41(40)54-31(24-21-18-14-11-8-3)27-34(46)53-30(26-32(43)44)23-20-17-13-10-7-2/h22,25,28-31,35-42,47-50H,6-21,23-24,26-27H2,1-5H3,(H,43,44)/b25-22+/t28?,29?,30?,31?,35-,36-,37?,38?,39-,40-,41?,42?/m0/s1
InChIKey PTDAXISVTVRQGK-WIKPZRNTSA-N
SMILES O([C@H]1C(O)[C@@H](O)C(OC1OC(CCCCCCC)CC(OC(CCCCCCC)CC(O)=O)=O)C)C2OC([C@H](O)C(O)[C@@H]2OC(=O)/C=C/CCCCCCC)C
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-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid (CHEBI:186305) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3-[3-[(3S,5R)-3-[(3S,5R)-3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
Manual Xref Database
LMFA13030007 LIPID MAPS
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