GLYCERYL TRIOLEATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O05EC62663

Structure
InChI Key PHYFQTYBJUILEZ-IUPFWZBJSA-N
Smile CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-

Physicochemical Descriptors

Property Name Value
Molecular Formula C57H104O6
Molecular Weight 885.45
AlogP 18.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 50.0
Polar Surface Area 78.9
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 63.0

Indications

Mesh Heading Maximum Phase Reference
Adrenoleukodystrophy Phase 2/Phase 3 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 122-32-7
ChEBI 53753
ChEMBL CHEMBL4297656
DrugBank DB13038
EPA CompTox DTXSID3026988
FDA SRS O05EC62663
Human Metabolome Database HMDB0005453
PubChem 5497163
SureChEMBL SCHEMBL23730
ZINC ZINC000085545180
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