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(Q27162957)
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English
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
583.2565062599099
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₅H₃₅MgN₄O₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC=1C(C)=C2C=C3C(C=C)=C(C)C(=CC=4C(C)(C(CCC(=O)[O-])(C(=C5CC(C6=C(CC)C(=CC1[N-]2)N=C56)=O)N4)[H])[H])[N-]3.[Mg+2]
1 reference
stated in
ChEBI
ChEBI ID
90966
language of work or name
English
title
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
isomeric SMILES
CCCC=1C(C)=C2C=C3C(C=C)=C(C)C(=CC=4[C@@](C)([C@](CCC(=O)[O-])(C(=C5CC(C6=C(CC)C(=CC1[N-]2)N=C56)=O)N4)[H])[H])[N-]3.[Mg+2]
1 reference
stated in
ChEBI
ChEBI ID
90966
language of work or name
English
title
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
Identifiers
InChI
InChI=1S/C35H38N4O3.Mg/c1-7-10-22-18(5)26-15-28-20(8-2)17(4)25(36-28)14-27-19(6)23(11-12-32(41)42)34(38-27)24-13-31(40)33-21(9-3)29(39-35(24)33)16-30(22)37-26;/h8,14-16,19,23H,2,7,9-13H2,1,3-6H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t19-,23-;/m0./s1
1 reference
stated in
ChEBI
ChEBI ID
90966
language of work or name
English
title
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
InChIKey
KEGFWQJFYCEKAJ-ZWHLOQRUSA-K
2 references
stated in
ChEBI
ChEBI ID
90966
language of work or name
English
title
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
stated in
ChEBI release 2020-09-01
PubChem CID
139031873
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KEGFWQJFYCEKAJ-ZWHLOQRUSA-K
ChEBI ID
90966
mapping relation type
exact match
2 references
stated in
ChEBI
ChEBI ID
90966
language of work or name
English
title
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
(English)
retrieved
9 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C35H38N4O3.Mg/c1-7-10-22-18(5)26-15-28-20(8-2)17(4)25(36-28)14-27-19(6)23(11-12-32(41)42)34(38-27)24-13-31(40)33-21(9-3)29(39-35(24)33)16-30(22)37-26;/h8,14-16,19,23H,2,7,9-13H2,1,3-6H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t19-,23-;/m0./s1
UniChem compound ID
119314808
1 reference
stated in
UniChem
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