6SW

Inosine-3',5'-cyclic monophosphate

Created:	2016-06-16
Last modified:	2021-03-01

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1 entries where 6SW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	4
Bond Count	36
Aromatic Bond Count	5

2D diagram of 6SW

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Chemical Component Summary
Name	Inosine-3',5'-cyclic monophosphate
Synonyms	cIMP
Systematic Name (OpenEye OEToolkits)	9-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1~{H}-purin-6-one
Formula	C₁₀ H₁₁ N₄ O₇ P
Molecular Weight	330.191
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4C(=O)NC=Nc34
SMILES	OpenEye OEToolkits	2.0.5	c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=CNC2=O
Canonical SMILES	CACTVS	3.385	O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4C(=O)NC=Nc34
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O
InChI	InChI	1.03	InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	DMJWGQPYNRPLGA-KQYNXXCUSA-N

Related Resource References

Resource Name	Reference
PubChem	5280387, 135398663, 19069
ChEBI	CHEBI:27541

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