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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d
organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d

Preferred term

12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C36H38MgN4O3

inchi

  • InChI=1S/C36H40N4O3.Mg/c1-8-21-18(5)26-14-28-19(6)23(10-11-33(42)43)35(39-28)25-13-32(41)34-22(9-2)30(40-36(25)34)16-31-24(12-17(3)4)20(7)27(38-31)15-29(21)37-26;/h8,14-17,19,23H,1,9-13H2,2-7H3,(H3,37,38,39,40,41,42,43);/q;+2/p-2/t19-,23-;/m0./s1

inchikey

  • OFLMPYMLTXUROB-ZWHLOQRUSA-L

mass

  • 599.018

monoisotopicmass

  • 598.27943

smiles

  • C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]753)CC(C8C6CC)=O)C(=C4C)CC(C)C)C(=C2C)C=C

subset

  • 3_STAR

synonym EXACT

  • {3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-14-(2-methylpropyl)-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131588

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