pheophytin b
public_id
FDB031106
IUPAC 名称
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaene-3-carboxylate
描述
Pheophytin b is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Pheophytin b can be found in a number of food items such as red rice, american butterfish, longan, and broad bean, which makes pheophytin b a potential biomarker for the consumption of these food products.
CAS号
异构
[H]\C(COC(=O)CC[C@]1([H])\C2=C3/C4=N/C(=C([H])\C5=C(CC)C(C=O)=C(N5)-C([H])=C5N\C(=C([H])/C(=N2)[C@@]1([H])C)C(C)=C5C=C)/C(C)=C4C(=O)[C@]3([H])C(=O)OC)=C(\C)CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C
InChI标识符
InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56-57H,1,13-24,26H2,2-11H3/b34-25+,42-27-,43-27?,44-28-,45-29+,46-28?,47-29?,52-50+/t32-,33-,36+,40+,51-/m1/s1
SVNJLRKERVRIRJ-QXCAWNLHSA-N
平均分子量
884.545186054
id
31269
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