MPU

D-MONAPTERIN

Created:	2004-08-20
Last modified:	2021-03-13

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1 entries where MPU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	2
Bond Count	30
Aromatic Bond Count	11

2D diagram of MPU

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Chemical Component Summary
Name	D-MONAPTERIN
Synonyms	2-AMINO-6-((1S,2S)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE
Systematic Name (OpenEye OEToolkits)	2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
Formula	C₉ H₁₁ N₅ O₄
Molecular Weight	253.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO
SMILES	CACTVS	3.341	NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO
SMILES	OpenEye OEToolkits	1.5.0	c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O
Canonical SMILES	CACTVS	3.341	NC1=Nc2ncc(nc2C(=O)N1)[C@H](O)[C@@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O
InChI	InChI	1.03	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m0/s1
InChIKey	InChI	1.03	BMQYVXCPAOLZOK-NJGYIYPDSA-N

Related Resource References

Resource Name	Reference
PubChem	5280872, 440842, 135565113
ChEBI	CHEBI:49751

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