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BioLiP

PDB CCD ID: K8P
Number of entries in BioLiP: 4
Chemical formula: C8 H16 N O7 P
InChI: InChI=1S/C8H16NO7P/c1-3-6(10)5(2)9-8(12)7(11)4-16-17(13,14)15/h3,5,7-9,11-12H,1,4H2,2H3,(H2,13,14,15)/t5-,7+,8+/m0/s1
InChIKey: UJGBYPNOGNUCKJ-UIISKDMLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC(C(=O)C=C)NC(C(COP(=O)(O)O)O)O
CACTVS 3.385C[CH](N[CH](O)[CH](O)CO[P](O)(O)=O)C(=O)C=C
CACTVS 3.385C[C@H](N[C@H](O)[C@H](O)CO[P](O)(O)=O)C(=O)C=C
OpenEye OEToolkits 2.0.5C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O
Name:[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate
ZINC: ZINC000584905573
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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