C-12 NBD-dihydro-ceramide

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Systematic / IUPAC Name: N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide

ID: Reference4427

Other Names: Dodecanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-;
NBD-C12-Safingol

Formula: C36H63N5O6

Class: Endogenous Metabolites

Spectral Data

C-12 NBD-dihydro-ceramide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1938
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/6/2016 7:28:53 AM
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Identificators

InChI InChI=1S/C36H63N5O6/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-33(43)31(29-42)38-34(44)25-22-19-16-13-11-14-17-20-23-28-37-30-26-27-32(41(45)46)36-35(30)39-47-40-36/h26-27,31,33,37,42-43H,2-25,28-29H2,1H3,(H,38,44)/t31-,33+/m0/s1
InChI Key STPDREBSVHTICB-CQTOTRCISA-N
Canonical SMILES
CAS 474943050
Splash
Other Names Dodecanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-;
NBD-C12-Safingol

In Other Databases

ChemSpider 22906218
PubChem 71311688