PPU

PUROMYCIN-5'-MONOPHOSPHATE

Created:	2000-07-31
Last modified:	2011-06-04

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3 entries where PPU is covalently linked to polymer or other heterogen groups 41 entries where PPU is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	68
Chiral Atom Count	5
Bond Count	71
Aromatic Bond Count	16

2D diagram of PPU

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Chemical Component Summary
Name	PUROMYCIN-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₂₂ H₃₀ N₇ O₈ P
Molecular Weight	551.489
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC4OC(n2cnc1c2ncnc1N(C)C)C(O)C4NC(=O)C(N)Cc3ccc(OC)cc3
SMILES	CACTVS	3.341	COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(ncnc34)N(C)C)cc1
SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)NC(=O)C(Cc4ccc(cc4)OC)N)O
Canonical SMILES	CACTVS	3.341	COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(O)=O)n3cnc4c(ncnc34)N(C)C)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O
InChI	InChI	1.03	InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(30)16(15(37-22)9-36-38(32,33)34)27-21(31)14(23)8-12-4-6-13(35-3)7-5-12/h4-7,10-11,14-16,18,22,30H,8-9,23H2,1-3H3,(H,27,31)(H2,32,33,34)/t14-,15+,16+,18+,22+/m0/s1
InChIKey	InChI	1.03	NYICMZBLMICLBS-NVWDDTSBSA-N

Related Resource References

Resource Name	Reference
PubChem	446782

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