pheophorbide a,化合物成分

pheophorbide a

public_id

FDB031104

IUPAC 名称

3-[(3R,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-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)-decaen-22-yl]propanoic acid

描述

Pheophorbide a is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Pheophorbide a can be found in a number of food items such as chinese mustard, common persimmon, malabar plum, and black chokeberry, which makes pheophorbide a a potential biomarker for the consumption of these food products.

CAS号

异构

[H][C@@]1(C)C2=N\C(=C3\C4=N\C(=C/C5=C(CC)C(C)=C(N5)\C=C5/N/C(=C\2)C(C)=C5C=C)\C(C)=C4C(=O)[C@]3([H])C(=O)OC)\[C@@]1([H])CCC(O)=O

InChI标识符

InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12+,25-14-,26-13-,27-14-,32-30+/t17-,21-,31+/m0/s1

键

OINDWIFDMFYGDX-ACEIPUNUSA-N

平均分子量

592.268570275

id

31267

含有化合物的食物

食物id	食物名称
137	Anise
1	Angelica
445	American pokeweed
192	American cranberry
319	American butterfish
289	Amaranth
412	Alpine sweetvetch
148	Almond
288	Allspice
5	Allium
287	Alfalfa
551	Alaska wild rhubarb
385	Alaska blueberry
577	Agave
285	Agar
198	Adzuki bean
283	Acorn
282	Acerola
281	Abiyuch
280	Abalone