Chemical Component Summary

Name(2S)-2-(heptadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl alpha-D-glucopyranosiduronic acid
Identifiers(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-2-heptadecanoyloxy-3-[(10~{S})-10-methyloctadecanoyl]oxy-propoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
FormulaC45 H84 O11
Molecular Weight801.142
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC
InChIInChI=1S/C45H84O11/c1-4-6-8-10-12-13-14-15-16-17-18-19-25-29-33-39(47)55-37(35-54-45-42(50)40(48)41(49)43(56-45)44(51)52)34-53-38(46)32-28-24-21-20-23-27-31-36(3)30-26-22-11-9-7-5-2/h36-37,40-43,45,48-50H,4-35H2,1-3H3,(H,51,52)/t36-,37+,40-,41-,42+,43-,45-/m0/s1
InChIKeyGTQHUJVSZUDBBM-ASILJYLZSA-N

Chemical Details

Formal Charge0
Atom Count140
Chiral Atom Count7
Bond Count140
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 139207776