TRIHEXOSYLCERAMIDE
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000624
Dataset description:
This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000624 contains the MS mass spectrum of TRIHEXOSYLCERAMIDE with the InChIkey MRVRZXMLIKCXOT-BRFIPFQISA-N.
Source: TRIHEXOSYLCERAMIDE
Chemical Info
| InChI | InChI=1S/C60H113NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)51(69)56(46(40-63)76-58)79-60-55(73)52(70)57(47(41-64)77-60)78-59-53(71)50(68)49(67)45(39-62)75-59/h35,37,43-47,49-60,62-65,67-73H,3-34,36,38-42H2,1-2H3,(H,61,66)/b37-35+/t43-,44+,45?,46?,47?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?/m0/s1 |
|---|---|
| SMILES | C(C1(OC(C3([H])O)(C(CO)(OC(C3([H])O)([H])OC([H])(C2([H])O)C(CO)(OC(OCC(C([H])(O)C(=C([H])CCCCCCCCCCCCC)[H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[H])(C([H])(O)2)[H])[H])[H])[H])[H])([H])(O)C(C([H])(O)C([H])(O1)CO)([H])O |
| InChI Key | MRVRZXMLIKCXOT-BRFIPFQISA-N |
| Molecular Formula | C60H113NO18 |
| Exact Mass | 1135.796 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 904cc10a-daaf-4e5c-bd03-f98bb2be4646 |
| Package id | msbnk-fac_eng_univ_tokyo-jp000624 |
| Resource type | HTML |
| State | active |