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12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-)
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
597.27215632391
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₆H₃₇MgN₄O₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC1=C(C)C2=CC=3C(C)(C(CCC(=O)[O-])(C(=C4CC(C5=C(CC)C(=CC6=C(CC(C)C)C(C)=C(C=C1[N-]2)[N-]6)N=C45)=O)N3)[H])[H].[Mg+2]
1 reference
stated in
ChEBI
ChEBI ID
90967
language of work or name
English
title
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
isomeric SMILES
C=CC1=C(C)C2=CC=3[C@@](C)([C@](CCC(=O)[O-])(C(=C4CC(C5=C(CC)C(=CC6=C(CC(C)C)C(C)=C(C=C1[N-]2)[N-]6)N=C45)=O)N3)[H])[H].[Mg+2]
1 reference
stated in
ChEBI
ChEBI ID
90967
language of work or name
English
title
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
Identifiers
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
1 reference
stated in
ChEBI
ChEBI ID
90967
language of work or name
English
title
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
InChIKey
OFLMPYMLTXUROB-ZWHLOQRUSA-K
2 references
stated in
ChEBI
ChEBI ID
90967
language of work or name
English
title
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
stated in
ChEBI release 2020-09-01
PubChem CID
139031874
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OFLMPYMLTXUROB-ZWHLOQRUSA-K
ChEBI ID
90967
mapping relation type
exact match
2 references
stated in
ChEBI
ChEBI ID
90967
language of work or name
English
title
12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
matched by identifier from
International Chemical Identifier
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
UniChem compound ID
119314809
1 reference
stated in
UniChem
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