1.0 2010-04-08 22:13:52 UTC 2019-11-26 03:16:30 UTC FDB018691 Protochlorophyll a Protochlorophyll a is a member of the class of compounds known as metalloporphyrins. Metalloporphyrins are polycyclic compounds containing a porphyrin moiety and a metal atom. Protochlorophyll a can be found in barley, which makes protochlorophyll a a potential biomarker for the consumption of this food product. 2,4-Divinylprotochlorophyllide Divinylprotochlorophyllide Mg-2,4-Divinyl-phaeoporphyrin a5-monomethylester Protochlorophyll a Trichosanthin? C55H68MgN4O5 889.457 888.504013204 18433-30-2 COC(=O)C1C(=O)C2=C3N4C(C=C5C(C=C)=C(C)C6=[N]5[Mg]44N5C(=CC7=[N]4C(C(CCC(=O)OC\C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)=C7C)=C13)C(C)=C(C=C)C5=C6)=C2C InChI=1S/C55H69N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,51H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26-,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-; VXBBWVCYHSPLNZ-CKGJYFJTSA-M logp 2.60 ALOGPS logs -6.58 ALOGPS solubility 2.36e-04 g/l ALOGPS average_mass 889.457 ChemAxon mono_mass 888.504013204 ChemAxon smiles COC(=O)C1C(=O)C2=C3N4C(C=C5C(C=C)=C(C)C6=[N]5[Mg]44N5C(=CC7=[N]4C(C(CCC(=O)OC\C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)=C7C)=C13)C(C)=C(C=C)C5=C6)=C2C ChemAxon formula C55H68MgN4O5 ChemAxon inchi InChI=1S/C55H69N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,51H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26-,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-; ChemAxon inchikey VXBBWVCYHSPLNZ-CKGJYFJTSA-M ChemAxon polar_surface_area 116.26 ChemAxon refractivity 272.39 ChemAxon polarizability 109.08 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon 30619 Barley Type 1 specific Hordeum vulgare 4513