3-vinylbacteriochlorophyllide a (Q27144788)

{3-[(3S,4S,13R,14R,21R)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydro-3-phorbinyl-kappa~4~N~23~,N~24~,N~25~,N~26~]propanoato(2-)}magnesium (English)

retrieved

8 October 2016

chemical formula

C₃₅H₃₆MgN₄O₅

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=CC=1C(C)=C2C=C3C(C)(C(CCC(=O)[O-])(C(=C4C(C(C5=C(C)C(=CC=6C(CC)(C(C)(C(=CC1[N-]2)N6)[H])[H])N=C54)=O)(C(=O)OC)[H])N3)[H])[H].[Mg+2]

1 reference

language of work or name

English

title

3-vinylbacteriochlorophyllide a (English)

retrieved

8 October 2016

isomeric SMILES

C=CC=1C(C)=C2C=C3[C@@](C)([C@](CCC(=O)[O-])(C(=C4[C@](C(C5=C(C)C(=CC=6[C@](CC)([C@@](C)(C(=CC1[N-]2)N6)[H])[H])N=C54)=O)(C(=O)OC)[H])N3)[H])[H].[Mg+2]

1 reference

language of work or name

English

title

3-vinylbacteriochlorophyllide a (English)

retrieved

8 October 2016

Identifiers

InChI

InChI=1S/C35H38N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,16-17,20-21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t16-,17+,20-,21+,31-;/m1./s1

1 reference

language of work or name

English

title

3-vinylbacteriochlorophyllide a (English)

retrieved

8 October 2016

InChIKey

AVEDVDGOEJPOAB-IBHSAMIZSA-L

2 references

language of work or name

English

title

3-vinylbacteriochlorophyllide a (English)

retrieved

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

{3-[(3S,4S,13R,14R,21R)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydro-3-phorbinyl-kappa~4~N~23~,N~24~,N~25~,N~26~]propanoato(2-)}magnesium (English)

retrieved

8 October 2016

ChEBI ID

74628

mapping relation type

2 references

language of work or name