Molecule ID: 118796867

IUPAC Name: [(2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl] (Z)-tetracos-15-enoate

Description: The molecule is a beta-D-glucosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is (15Z)-tetracosenoyl. It has a role as a mouse metabolite. It derives from a (15Z)-tetracosenoic acid.

SMILES: CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]

InChI: InChI=1S/C48H92O9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(51)56-43(40-55-48-47(54)46(53)45(52)42(39-49)57-48)41(50)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41-43,45-50,52-54H,3-16,19-40H2,1-2H3/b18-17-/t41-,42-,43+,45-,46+,47-,48-/m1/s1

Molecular Properties:
- Polar Surface Area: 146.0 Ų
- LogP: 15.8