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CHEBI:176951 - 8-Ethyl-12-methylbacteriochlorophyllide d

ChEBI IDCHEBI:176951
ChEBI Name8-Ethyl-12-methylbacteriochlorophyllide d
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H34N4O4.Mg
Net Charge0
Average Mass574.964
Monoisotopic Mass574.24305
SMILESCCC1=C(C)c2cc3[n-]c(cc4nc(c5c6[n-]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)O)[C@@H]4C)c(C)c3C(C)O.[Mg+2]
InChIInChI=1S/C33H36N4O4.Mg/c1-7-19-14(2)22-13-27-30(18(6)38)16(4)24(35-27)11-23-15(3)20(8-9-29(40)41)32(36-23)21-10-28(39)31-17(5)25(37-33(21)31)12-26(19)34-22;/h11-13,15,18,20,38H,7-10H2,1-6H3,(H3,34,35,36,37,39,40,41);/q;+2/p-2/t15-,18?,20-;/m0./s1
InChIKeyNLKXTSVNFLJGKK-TTWAWOKTSA-L
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
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-Ethyl-12-methylbacteriochlorophyllide d (CHEBI:176951) is a chlorins (CHEBI:33910)
IUPAC Name 
magnesium;3-[(21S,22S)-11-ethyl-16-(1-hydroxyethyl)-12,17,21,26-tetramethyl-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
C21431KEGG COMPOUND