In-Silico Structure database (LMISSD)
| |
LM ID | LMSP05019AXE |
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Common Name | GlcCer(d15:2(4E,6E)/12:0) |
Systematic Name | N-(dodecanoyl)-1-β-glucosyl-4E,6E-pentadecasphingadienine |
Synonyms | - |
Exact Mass | |
Formula | C33H61NO8 |
Category | Sphingolipids [SP] |
Main Class | Neutral glycosphingolipids [SP05] |
Sub Class | Simple Glc series [SP0501] |
PubChem Compound ID (CID) | - |
InChIKey | DUYDWSBKTUZKLL-QUXOMMMISA-N |
InChI | InChI=1S/C33H61NO8/c1-3-5-7-9-11-13-15-16-18-20-22-27(36)26(25-41-33-32(40)31(39 )30(38)28(24-35)42-33)34-29(37)23-21-19-17-14-12-10-8-6-4-2/h16,18,20,22,26-28,3 0-33,35-36,38-40H,3-15,17,19,21,23-25H2,1-2H3,(H,34,37)/b18-16+,22-20+/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(CCCCCCCCCCC)=O)[C@]([H])(O)/C= C/C=C/CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |