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BioLiP Library

PDB CCD ID: 6CM
Number of entries in BioLiP: 2
Chemical formula: C24 H47 N O3
InChI: InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1
InChIKey: NPRJSFWNFTXXQC-QFWQFVLDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCC)O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O
CACTVS 3.341CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC
ACDLabs 10.04O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCC
Name:N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXANAMIDE;
C6-CERAMIDE;
N-HEXANOYL-D-ERYTHRO-SPHINGOSINE;
(2S,3R,4E)-2-HEXANOYLAMINOOCTADEC-4-ENE-1,3-DIOL;
(2S,3R,4E)-2-HEXANOYLAMINO-1,3-OCTADEC-4-ENEDIOL
ChEMBL: CHEMBL224877
ZINC: ZINC000016051948
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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