In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019GOC |
---|---|
Common Name | LacCer(d14:1(4E)/26:0) |
Systematic Name | N-(hexacosanoyl)-1-β-lactosyl-4E-tetradecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C52H99NO13 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | RTBOLHKYZNOMEL-MZWYBHKDSA-N |
InChI | InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-3 0-32-34-36-44(57)53-40(41(56)35-33-31-29-27-12-10-8-6-4-2)39-63-51-49(62)47(60)5 0(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56 ,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46?,47?,48? ,49?,50+,51+,52-/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)C(O)C1O)([H])(N C(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |