P61
(2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid
Find entries where: P61
is present as a standalone ligand in 3 entries
Chemical Component Summary | |
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Name | (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid |
Identifiers | (2E)-3-(3-fluoro-4-hydroxy-phenyl)-2-[(Z)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-1H-pyridin-4-ylidene]methyl]imino-propanoic acid |
Formula | C17 H18 F N2 O8 P |
Molecular Weight | 428.306 |
Type | NON-POLYMER |
Isomeric SMILES | CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O |
InChI | InChI=1S/C17H18FN2O8P/c1-9-16(22)12(11(6-19-9)8-28-29(25,26)27)7-20-14(17(23)24)5-10-2-3-15(21)13(18)4-10/h2-4,6-7,19,21-22H,5,8H2,1H3,(H,23,24)(H2,25,26,27)/b12-7-,20-14+ |
InChIKey | AWZHPOMIAYWMIB-ALAGMBGBSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 47 |
Chiral Atom Count | 0 |
Bond Count | 48 |
Aromatic Bond Count | 6 |