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CHEBI:190257 - 12-Ethyl-8-isobutylbacteriochlorophyllide D

ChEBI IDCHEBI:190257
ChEBI Name12-Ethyl-8-isobutylbacteriochlorophyllide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H42N4O4
Net Charge0
Average Mass594.756
Monoisotopic Mass594.32061
SMILESCCC1=C2/C=C3\N=C(/C=C4\N=C(/C=C5\N/C(=C6/CC(O)=C1C6=N2)[C@@H](CCC(=O)O)[C@@H]5C)C(C)=C4C(C)O)C(C)=C3CC(C)C
InChIInChI=1S/C36H42N4O4/c1-8-21-28-15-29-23(11-16(2)3)18(5)25(37-29)14-30-33(20(7)41)19(6)27(38-30)13-26-17(4)22(9-10-32(43)44)35(39-26)24-12-31(42)34(21)36(24)40-28/h13-17,20,22,39,41-42H,8-12H2,1-7H3,(H,43,44)/b26-13-,29-15-,30-14-,35-24-/t17-,20?,22-/m0/s1
InChIKeyRBLOBBMNLDASQN-XLQIGMHUSA-N
Species of MetaboliteComponentSourceComments
Synechococcus elongatus PCC 7942 (ncbitaxon:32046) cell culture (BTO:0000214) MetaboLights (MTBLS2825)
ChEBI Ontology
Outgoing Relation(s)
12-Ethyl-8-isobutylbacteriochlorophyllide D (CHEBI:190257) is a tetrapyrrole (CHEBI:26932)
IUPAC Name 
3-[(21S,22S)-26-ethyl-4-hydroxy-16-(1-hydroxyethyl)-12,17,21-trimethyl-11-(2-methylpropyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid