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BioLiP

PDB CCD ID: RAN
Number of entries in BioLiP: 0
Chemical formula: C8 H18 N O9 P
InChI: InChI=1S/C8H18NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h3-13H,2H2,1H3,(H2,14,15,16)/t3?,4-,5-,6-,7-,8+/m1/s1
InChIKey: IXJMOIFMGWFZBQ-NKWOADHPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(NC1C(C(C(OC1O)COP(=O)(O)O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(NC(O)C)C(O)C1O
OpenEye OEToolkits 1.5.0CC(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O
CACTVS 3.341C[C@@H](O)N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
CACTVS 3.341C[CH](O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
Name:PHOSPHORIC ACID MONO-[3,4,6-TRIHYDROXY-5-(1-HYDROXY-ETHYLAMINO)-TETRAHYDRO-PYRAN-2-YLMETHYL] ESTER
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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