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Summary Geometry Related PDB entries

61H

Summary

Name:	(1R)-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-D-erythro-pentitol
Formula:	C19 H19 O6 P
Formal charge:	0
Formula weight:	374.324 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1R)-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-D-erythro-pentitol
OpenEye OEToolkits	2.0.7	[(2~{R},3~{S},5~{R})-3-oxidanyl-5-phenanthren-2-yl-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	P(=O)(O)OCC4OC(c3cc2ccc1ccccc1c2cc3)CC4O
InChI	InChI	1.06	InChI=1S/C19H19O6P/c20-17-10-18(25-19(17)11-24-26(21,22)23)14-7-8-16-13(9-14)6-5-12-3-1-2-4-15(12)16/h1-9,17-20H,10-11H2,(H2,21,22,23)/t17-,18+,19+/m0/s1
InChIKey	InChI	1.06	YDWNCVNHJRRJMU-IPMKNSEASA-N
SMILES_CANONICAL	CACTVS	3.385	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)c2ccc3c(ccc4ccccc34)c2
SMILES	CACTVS	3.385	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2ccc3c(ccc4ccccc34)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)ccc3c2ccc(c3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)ccc3c2ccc(c3)C4CC(C(O4)COP(=O)(O)O)O

248636

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