XPN

Baeocystin

Created:	2023-06-08
Last modified:	2024-04-03

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4 entries where XPN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	10

2D diagram of XPN

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Chemical Component Summary
Name	Baeocystin
Synonyms	[3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
Formula	C₁₁ H₁₅ N₂ O₄ P
Molecular Weight	270.222
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
SMILES	OpenEye OEToolkits	2.0.7	CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
InChI	InChI	1.06	InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)
InChIKey	InChI	1.06	WTPBXXCVZZZXKR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	161359
ChEMBL	CHEMBL4634002
ChEBI	CHEBI:139505

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