LTC4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000313
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000313 contains the MS2 mass spectrum of LTC4 with the InChIkey GWNVDXQDILPJIG-NXOLIXFESA-N.
Source: LTC4
Chemical Info
| InChI | InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| InChI Key | GWNVDXQDILPJIG-NXOLIXFESA-N |
| Molecular Formula | C30H47N3O9S |
| Exact Mass | 625.303 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 | ecc3a241-dd89-4eb0-a419-1e979ad234f0 |
| Package id | msbnk-chubu_univ-ut000313 |
| Resource type | HTML |
| State | active |