3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid (Q27466933)

3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-2,7,12,18-porphyrintetrayl]tetrapropanoic acid (English)

19 October 2016

chemical formula

C₄₀H₃₈N₄O₁₆

1 reference

stated in

RCSB protein data bank

PDB ligand ID

UP3

16 February 2021

canonical SMILES

C1=C2C(=C(C(N2)=CC3=NC(=CC4=C(C(=C(N4)C=C5N=C1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O

1 reference

3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-2,7,12,18-porphyrintetrayl]tetrapropanoic acid (English)

InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13?,26-13-,27-14-,28-15?,29-14-,30-15-,31-16-,32-16-

19 October 2016

Identifiers

InChI

1 reference

3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-2,7,12,18-porphyrintetrayl]tetrapropanoic acid (English)

VZVFNUAIRVUCEW-XFMUOGEMSA-N

19 October 2016

InChIKey

1 reference

3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-2,7,12,18-porphyrintetrayl]tetrapropanoic acid (English)

19 October 2016

1 reference

3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-2,7,12,18-porphyrintetrayl]tetrapropanoic acid (English)

19 October 2016

0 references

1 reference

3D8N (English)