In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019EQC |
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Common Name | GalCer(d17:1(4E)/20:0) |
Systematic Name | N-(eicosanoyl)-1-β-galactosyl-4E-heptadecasphingenine |
Synonyms | - |
Exact Mass | |
Formula | C43H83NO8 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | QBVJFFADFXSLBO-NZBXAQCXSA-N |
InChI | InChI=1S/C43H83NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(47)44 -36(35-51-43-42(50)41(49)40(48)38(34-45)52-43)37(46)32-30-28-26-24-22-16-14-12-1 0-8-6-4-2/h30,32,36-38,40-43,45-46,48-50H,3-29,31,33-35H2,1-2H3,(H,44,47)/b32-30 +/t36-,37+,38+,40-,41?,42?,43+/m0/s1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H] )(O)/C=C/CCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |