I3B
5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
Find entries where: I3B
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
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Name | 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid |
Identifiers | 5-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid |
Formula | C13 H21 N2 O7 P |
Molecular Weight | 348.289 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCC(=O)O)O |
InChI | InChI=1S/C13H21N2O7P/c1-9-13(18)11(7-14-5-3-2-4-12(16)17)10(6-15-9)8-22-23(19,20)21/h6,14,18H,2-5,7-8H2,1H3,(H,16,17)(H2,19,20,21) |
InChIKey | JXMZQLZPXCDFBY-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 44 |
Chiral Atom Count | 0 |
Bond Count | 44 |
Aromatic Bond Count | 6 |
Related Resource References
Resource Name | Reference |
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PubChem | 163321799 |