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CHEBI:190282 - 8,12-Diethylbacteriochlorophyllide D

ChEBI IDCHEBI:190282
ChEBI Name8,12-Diethylbacteriochlorophyllide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H36N4O4.Mg
Net Charge0
Average Mass588.991
Monoisotopic Mass588.25870
SMILESCCC1=C(C)c2cc3[n-]c(cc4nc(c5c6[n-]c(cc1n2)c(CC)c6C(=O)C5)[C@@H](CCC(=O)O)[C@@H]4C)c(C)c3C(C)O.[Mg+2]
InChIInChI=1S/C34H38N4O4.Mg/c1-7-19-15(3)23-13-28-31(18(6)39)17(5)25(36-28)12-24-16(4)21(9-10-30(41)42)33(37-24)22-11-29(40)32-20(8-2)27(38-34(22)32)14-26(19)35-23;/h12-14,16,18,21,39H,7-11H2,1-6H3,(H3,35,36,37,38,40,41,42);/q;+2/p-2/t16-,18?,21-;/m0./s1
InChIKeyJJYGQZHZFWZHNN-NQGUIJHUSA-L
Species of MetaboliteComponentSourceComments
Synechococcus elongatus PCC 7942 (ncbitaxon:32046) cell culture (BTO:0000214) MetaboLights (MTBLS2825)
Roles Classification
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)
8,12-Diethylbacteriochlorophyllide D (CHEBI:190282) is a chlorins (CHEBI:33910)
IUPAC Name 
magnesium;3-[(21S,22S)-11,26-diethyl-16-(1-hydroxyethyl)-12,17,21-trimethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
Manual XrefsDatabases
C21432KEGG COMPOUND