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Summary Geometry Related PDB entries

OWR

Summary

Name:	1-[2-deoxy-5-O-(dihydroxyphosphanyl)-beta-D-erythro-pentofuranosyl]-1H-naphtho[2,3-d]imidazole
Formula:	C16 H17 N2 O6 P
Formal charge:	0
Formula weight:	364.29 Da
Component type:	DNA linking

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-naphtho[2,3-d]imidazole
OpenEye OEToolkits	2.0.7	[(2~{R},3~{S},5~{R})-5-benzo[f]benzimidazol-3-yl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC1OC(CC1O)n1cnc2cc3ccccc3cc21
InChI	InChI	1.03	InChI=1S/C16H17N2O6P/c19-14-7-16(24-15(14)8-23-25(20,21)22)18-9-17-12-5-10-3-1-2-4-11(10)6-13(12)18/h1-6,9,14-16,19H,7-8H2,(H2,20,21,22)/t14-,15+,16+/m0/s1
InChIKey	InChI	1.03	HNXFPKXDQSBACZ-ARFHVFGLSA-N
SMILES_CANONICAL	CACTVS	3.385	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3cc4ccccc4cc23
SMILES	CACTVS	3.385	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cc4ccccc4cc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2cc3c(cc2c1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cc3c(cc2c1)ncn3C4CC(C(O4)COP(=O)(O)O)O

225946

PDB entries from 2024-10-09

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