CHEBI:182570 - 3-Hydroxy-5-(3-hydroxy-5-(3-hydroxy-5-(3,5-dihydroxydecanoyloxy)decanoyloxy)decanoyloxy)decanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 3-Hydroxy-5-(3-hydroxy-5-(3-hydroxy-5-(3,5-dihydroxydecanoyloxy)decanoyloxy)decanoyloxy)decanoic acid
ChEBI ID CHEBI:182570
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C40H74O13
Net Charge 0
Average Mass 763.019
Monoisotopic Mass 762.51294
InChI InChI=1S/C40H74O13/c1-5-9-13-17-29(41)21-30(42)26-38(48)52-35(19-15-11-7-3)23-32(44)28-40(50)53-36(20-16-12-8-4)24-33(45)27-39(49)51-34(18-14-10-6-2)22-31(43)25-37(46)47/h29-36,41-45H,5-28H2,1-4H3,(H,46,47)
InChIKey PBYPZVMETKFGQR-UHFFFAOYSA-N
SMILES O(C(CC(O)CC(OC(CCCCC)CC(O)CC(O)=O)=O)CCCCC)C(=O)CC(O)CC(OC(=O)CC(O)CC(O)CCCCC)CCCCC
ChEBI Ontology
Outgoing 3-Hydroxy-5-(3-hydroxy-5-(3-hydroxy-5-(3,5-dihydroxydecanoyloxy)decanoyloxy)decanoyloxy)decanoic acid (CHEBI:182570) has functional parent tetracarboxylic acid (CHEBI:35742)
3-Hydroxy-5-(3-hydroxy-5-(3-hydroxy-5-(3,5-dihydroxydecanoyloxy)decanoyloxy)decanoyloxy)decanoic acid (CHEBI:182570) is a organooxygen compound (CHEBI:36963)
IUPAC Name
5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid
Manual Xref Database
22943130 ChemSpider
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