In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019DJY |
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Common Name | GalCer(d14:1(4E)/13:0) |
Systematic Name | N-(tridecanoyl)-1-β-galactosyl-4E-tetradecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C33H63NO8 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | UHDPPJJOJKKCCD-MNSKXXDASA-N |
InChI | InChI=1S/C33H63NO8/c1-3-5-7-9-11-13-15-17-19-21-23-29(37)34-26(27(36)22-20-18-16 -14-12-10-8-6-4-2)25-41-33-32(40)31(39)30(38)28(24-35)42-33/h20,22,26-28,30-33,3 5-36,38-40H,3-19,21,23-25H2,1-2H3,(H,34,37)/b22-20+/t26-,27+,28+,30-,31?,32?,33+ /m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)/C= C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |