In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019JVB |
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Common Name | GalCer(d15:1(4E)/11:0(2OH[R])) |
Systematic Name | N-(2R-hydroxyundecanoyl)-1-β-galactosyl-4E-pentadecasphingenine |
Synonyms | GalCer(d26:1h); GalCer(d15:1/11:0h) |
Exact Mass | |
Formula | C32H61NO9 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | DRMYJSZXYHZTDD-QMGNGZRPSA-N |
InChI | InChI=1S/C32H61NO9/c1-3-5-7-9-11-12-13-15-16-18-20-25(35)24(23-41-32-30(39)29(38 )28(37)27(22-34)42-32)33-31(40)26(36)21-19-17-14-10-8-6-4-2/h18,20,24-30,32,34-3 9H,3-17,19,21-23H2,1-2H3,(H,33,40)/b20-18+/t24-,25+,26+,27+,28-,29?,30?,32+/m0/s 1 |
SMILES | [C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])( O)/C=C/CCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |