XP6

Norbaeocystin

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

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5 entries where XP6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	10

2D diagram of XP6

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Chemical Component Summary
Name	Norbaeocystin
Synonyms	[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate
Formula	C₁₀ H₁₃ N₂ O₄ P
Molecular Weight	256.195
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)OP(=O)(O)O)c(c[nH]2)CCN
Canonical SMILES	CACTVS	3.385	NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)OP(=O)(O)O)c(c[nH]2)CCN
InChI	InChI	1.06	InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)
InChIKey	InChI	1.06	IKQGYCWFBVEAKF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9795063
ChEBI	CHEBI:139479

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