In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019ACN |
---|---|
Common Name | GlcCer(t14:0/12:0) |
Systematic Name | N-(dodecanoyl)-1-β-glucosyl-4R-hydroxytetradecasphinganine |
Synonyms | - |
Exact Mass | |
Formula | C32H63NO9 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | CMRROVLGPTZITP-KFZMTJFMSA-N |
InChI | InChI=1S/C32H63NO9/c1-3-5-7-9-11-13-15-17-19-21-27(36)33-24(23-41-32-31(40)30(39 )29(38)26(22-34)42-32)28(37)25(35)20-18-16-14-12-10-8-6-4-2/h24-26,28-32,34-35,3 7-40H,3-23H2,1-2H3,(H,33,36)/t24-,25+,26+,28-,29+,30?,31?,32+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)[C@ @H](CCCCCCCCCC)O |
MS Spectra | - |
Status | Active (generated by computational methods) |