In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019HWB |
---|---|
Common Name | LacCer(d18:1(4E)/28:0) |
Systematic Name | N-(octacosanoyl)-1-β-lactosyl-4E-sphingenine |
Synonyms | - |
Exact Mass | |
Formula | C58H111NO13 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | YGCFOTNEKWOJIQ-VXYXEJOASA-N |
InChI | InChI=1S/C58H111NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30- 32-34-36-38-40-42-50(63)59-46(47(62)41-39-37-35-33-31-29-16-14-12-10-8-6-4-2)45- 69-57-55(68)53(66)56(49(44-61)71-57)72-58-54(67)52(65)51(64)48(43-60)70-58/h39,4 1,46-49,51-58,60-62,64-68H,3-38,40,42-45H2,1-2H3,(H,59,63)/b41-39+/t46-,47+,48+, 49+,51-,52?,53?,54?,55?,56+,57+,58-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |