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

Properties

Image

Occurences in reactions

MNX_ID

MNXM162618

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₃₆H₃₇MgN₄O₃

charge

-1

mass

597.27216

reference

chebi:90967

InChIKey

OFLMPYMLTXUROB-ZWHLOQRUSA-K

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-3/t19-,23-;/m0./s1

SMILES

C=Cc1c(C)c2n3c1=CC1=[N+]4C(=Cc5c(CC)c6c7n5[Mg-2]34[N+]3=C(C=2)[C@@H](C)[C@H](CCC(=O)[O-])C3=C7CC6=O)C(CC(C)C)=C1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90967 chebi:90967	12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-) {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(3-)}magnesate(1-)
kegg.compound:C21429 keggC:C21429	12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d
metacyc.compound:CPD-18844 metacycM:CPD-18844	12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d 3V[I,E]-bacteriochlorophyllide d
CHEBI:131588 chebi:131588	12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d {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
keggC:M_C21429	secondary/obsolete/fantasy identifier