English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

J7D

Summary

Name:	1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol
Formula:	C6 H14 N O9 P
Formal charge:	0
Formula weight:	275.15 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol
OpenEye OEToolkits	2.0.6	[(2~{R},3~{S},4~{S})-5-[methanoyl(oxidanyl)amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OP(OCC(O)C(C(O)CN(O)C=O)O)(=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
SMILES_CANONICAL	CACTVS	3.385	O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)CN(O)C=O
SMILES	CACTVS	3.385	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CN(O)C=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N(C=O)O
SMILES	OpenEye OEToolkits	2.0.6	C(C(C(C(COP(=O)(O)O)O)O)O)N(C=O)O

221051

PDB entries from 2024-06-12

PDB statistics

PDBj update info

Contact PDBj

numon