N-oleoyl-D-erythro-sphingosine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N102053_BEEB
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102053_BEEB contains the MS2 mass spectrum of N-oleoyl-D-erythro-sphingosine with the InChIkey OBFSLMQLPNKVRW-RHPAUOISSA-N.
Source: N-oleoyl-D-erythro-sphingosine
Chemical Info
InChI | InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1 |
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SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC)O |
InChI Key | OBFSLMQLPNKVRW-RHPAUOISSA-N |
Molecular Formula | C36H69NO3 |
Exact Mass | 563.528 g/mol |
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Additional Information
Field | Value |
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Data last updated | January 11, 2024 |
Metadata last updated | January 11, 2024 |
Created | January 11, 2024 |
Format | HTML |
License | No License Provided |
Id | a48c181f-62be-4497-93fa-f5cd7f059b8d |
Package id | msbnk-antwerp_univ-metox_n102053_beeb |
Resource type | HTML |
State | active |