EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48396 - 71-hydroxychlorophyllide a

ChEBI IDCHEBI:48396
ChEBI Name71-hydroxychlorophyllide a
Stars
ASCII Name7(1)-hydroxychlorophyllide a
Last Modified14 August 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC35H34MgN4O6
Net Charge0
Average Mass630.984
Monoisotopic Mass630.23288
SMILESC=Cc1c(C)/c2[n]3/c1=C\C1=N/C(=C\c4c(C)c5c([n]4[Mg]3)/C(=C3\N=C(/C=2)[C@@H](C)[C@@H]3CCC(=O)O)[C@@H](C(=O)OC)C5=O)C(CC)=C1CO
InChIInChI=1S/C35H36N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-13,16,20,31,40H,1,8-10,14H2,2-6H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1
InChIKeyQCWXXDQFRHDXNM-IEEIVXFASA-L
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
71-hydroxychlorophyllide a (CHEBI:48396) has functional parent chlorophyllide a (CHEBI:16900)
71-hydroxychlorophyllide a (CHEBI:48396) is a chlorophyllide (CHEBI:38206)
71-hydroxychlorophyllide a (CHEBI:48396) is a dicarboxylic acid monoester (CHEBI:36244)
71-hydroxychlorophyllide a (CHEBI:48396) is a methyl ester (CHEBI:25248)
71-hydroxychlorophyllide a (CHEBI:48396) is conjugate acid of 71-hydroxychlorophyllide a(1−) (CHEBI:58741)
Incoming Relation(s)
71-hydroxychlorophyllide a(1−) (CHEBI:58741) is conjugate base of 71-hydroxychlorophyllide a (CHEBI:48396)
Synonym  Source
[3-{(3S,4S,21R)-9-ethenyl-14-ethyl-13-(hydroxymethyl)-4,8,18-trimethyl-21-[(methyloxy)carbonyl]-20-oxophorbin-3-yl-κ4N23,N24,N25,N26}propanoato(2−)]magnesiumIUPAC
Manual XrefsDatabases
C16540KEGG COMPOUND