SEQ2FUN

BioLiP

PDB CCD ID: SPH
Number of entries in BioLiP: 3
Chemical formula: C18 H37 N O2
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/t17-,18+/m1/s1
InChIKey: WWUZIQQURGPMPG-MSOLQXFVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCC\C=C/[C@H](O)[C@H](N)CO
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC=CC(C(CO)N)O
CACTVS 3.341CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO
ACDLabs 10.04OCC(N)C(O)\C=C/CCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O
Name:SPHINGOSINE
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).