General Information of the Compound
| Compound ID |
CP0058280
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| Compound Name |
(E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol
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| Synonyms |
AC1NQZUP
BML3-C12
BSPBio_001420
C13914
CHEBI:78759
CHEMBL322333
D-erythro-N,N-dimethylsphingosine
D-erythro-Sphingosine, N,N-Dimethyl-
DIMETHYLSPINGOSINE
Dimethyl Sphingosine (d18:1)
N,N-Dimethyl-4-sphingenine
N,N-Dimethyl-D-erythrosphingenine
N,N-Dimethylsphing-4-enine
N,N-Dimethylsphingenine
N,N-Dimethylsphingosine, oil
N,N-Dimethylspingosine
N,N-dimethyl-erythro-sphingosine
N-dimethylsphingosine
SCHEMBL121927
SCHEMBL5493697
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| Structure |
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| Formula |
C20H41NO2
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| Molecular Weight |
327.553
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| Canonical SMILES |
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C
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| InChI |
InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
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| InChIKey |
YRXOQXUDKDCXME-YIVRLKKSSA-N
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| CAS |
119567-63-4
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound