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BioLiP

PDB CCD ID: KV6
Number of entries in BioLiP: 0
Chemical formula: C17 H35 N O2
InChI: InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1
InChIKey: DDQVUIVECUEYEG-MRXNPFEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC[CH](N)CC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCC[C@H](CC(=O)O)N
ACDLabs 12.01NC(CCCCCCCCCCCCCC)CC(=O)O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCC(CC(=O)O)N
CACTVS 3.385CCCCCCCCCCCCCC[C@@H](N)CC(O)=O
Name:(3R)-3-aminoheptadecanoic acid;
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl )-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl ]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
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).
  • 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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