2-Amino-1,3-octadecanediol

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Systematic / IUPAC Name: 2-Amino-1,3-octadecanediol

ID: Reference391

Other Names: D-Erythro-2-amino-1,3-octadecanediol;
D-Erythro-1,3-dihydroxy-2-aminooctadecane;
(2S,3R)-2-Aminooctadecane-1,3-diol;
(2S,3R)-2-Amino-1,3-octadecanediol;
1,3-Octadecanediol, 2-amino, (2S,3R)- ; more

Formula: C18H39NO2

Class: Endogenous Metabolites

Spectral Data

2-Amino-1,3-octadecanediol 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 2
No. of Spectra 169
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 3/23/2016 2:36:17 PM
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Identificators

InChI InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1
InChI Key OTKJDMGTUTTYMP-ZWKOTPCHSA-N
Canonical SMILES OCC(N)C(O)CCCCCCCCCCCCCCC
CAS 764227
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Other Names D-Erythro-2-amino-1,3-octadecanediol;
D-Erythro-1,3-dihydroxy-2-aminooctadecane;
(2S,3R)-2-Aminooctadecane-1,3-diol;
(2S,3R)-2-Amino-1,3-octadecanediol;
1,3-Octadecanediol, 2-amino, (2S,3R)-;
2-Amino-1,3-dihydroxyoctadecane;
1,3-Octadecanediol, 2-amino, D-erythro-;
2-Amino-D-erythro-1,3-octadecanediol;
Sphinganine;
Dihydrosphingosine;
Octadecasphinganine;
D-Erythro-sphinganine;
Dihydro-C18-sphingosine;
D-Erythro-dihydrosphingosine;
D-Erythro-sphingosine, dihydro-

In Other Databases

ChemIDPlus 000764227
HMDb HMDB00269
Wikipedia Safingol
KEGG C00836
LipidsMAPs LMSP01020001
PubChem 91486
ChemSpider 82609
ChEBI CHEBI:16566
ChEMBL CHEMBL448741