Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3085)
Drug Name
Sphingosine
Synonyms
sphingosine; D-erythro-Sphingosine; 123-78-4; 4-Sphingenine; D-Sphingosine; Sphing-4-enine; cerebroside; trans-D-erythro-2-Amino-4-octadecene-1,3-diol; Sphingenine; (4E)-Sphingenine; 4-trans-Sphingenine; (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol; Sphingoid; D-erythro-Sphingosine (synthetic); UNII-NGZ37HRE42; D-erythro-C18-Sphingosine; (E)-2-Amino-4-octadecan-1,3-diol; (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol; trans-4-Sphingenine; CCRIS 6899; NGZ37HRE42; (2S,3R)-2-aminooctadec-4-ene-1,3-diol
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 299.5 Topological Polar Surface Area 66.5
Heavy Atom Count 21 Rotatable Bond Count 15
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5280335
ChEBI ID
CHEBI:16393
CAS Number
123-78-4
TTD Drug ID
D0L0YG
Formula
C18H37NO2
Canonical SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
InChIKey
WWUZIQQURGPMPG-KRWOKUGFSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Sphingosine-P DM015435
5283560
Unclear - Unclear 1 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011930 Sphingosine Sphingosine-P Unclear - Unclear SPHK1 [1]
References
1 Regulation and function of sphingosine kinase 2 in diseases

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.