J7D

1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol

Created:	2018-08-20
Last modified:	2023-12-13

Find Related PDB Entry
1 entries where J7D is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	3
Bond Count	30
Aromatic Bond Count	0

2D diagram of J7D

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol
Systematic Name (OpenEye OEToolkits)	[(2~{R},3~{S},4~{S})-5-[methanoyl(oxidanyl)amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula	C₆ H₁₄ N O₉ P
Molecular Weight	275.15
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OP(OCC(O)C(C(O)CN(O)C=O)O)(=O)O
SMILES	CACTVS	3.385	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CN(O)C=O
SMILES	OpenEye OEToolkits	2.0.6	C(C(C(C(COP(=O)(O)O)O)O)O)N(C=O)O
Canonical SMILES	CACTVS	3.385	O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)CN(O)C=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N(C=O)O
InChI	InChI	1.03	InChI=1S/C6H14NO9P/c8-3-7(12)1-4(9)6(11)5(10)2-16-17(13,14)15/h3-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-/m0/s1
InChIKey	InChI	1.03	LBJFEFHCTYMJFD-JKUQZMGJSA-N

Related Resource References

Resource Name	Reference
PubChem	73673722

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.