[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(10-oxodocosanoyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl 10-oxodocosanoate

ID: ALA5276977

Chembl Id: CHEMBL5276977

Max Phase: Preclinical

Molecular Formula: C56H102O15

Molecular Weight: 1015.42

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCCCC(=O)CCCCCCCCC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCC(=O)CCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

Standard InChI:  InChI=1S/C56H102O15/c1-3-5-7-9-11-13-15-17-23-29-35-43(57)37-31-25-19-21-27-33-39-47(59)67-41-45-49(61)51(63)53(65)55(69-45)71-56-54(66)52(64)50(62)46(70-56)42-68-48(60)40-34-28-22-20-26-32-38-44(58)36-30-24-18-16-14-12-10-8-6-4-2/h45-46,49-56,61-66H,3-42H2,1-2H3/t45-,46+,49-,50+,51+,52-,53-,54+,55-,56+

Standard InChI Key:  LUQYSNOAQZVBJU-FJNFWKRJSA-N

Alternative Forms

1. Parent:

   

   ALA5276977

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1015.42

Molecular Weight (Monoisotopic): 1014.7219

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References

1. Matsumaru T, Sueyoshi K, Okubo K, Fujii S, Sakuratani K, Saito R, Ueki K, Yamasaki S, Fujimoto Y..  (2022)  Trehalose diesters containing a polar functional group-modified lipid moiety: Synthesis and evaluation of Mincle-mediated signaling activity.,  75  [PMID:36327694] [10.1016/j.bmc.2022.117045]

Source

Source(1):

• Scientific Literature