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ChEBI
> Main
CHEBI:91128 - 3-acetylchlorophyllide
a
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ChEBI Ontology
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ChEBI Name
3-acetylchlorophyllide
a
ChEBI ID
CHEBI:91128
ChEBI ASCII Name
3-acetylchlorophyllide a
Definition
A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-acetylchlorophyll
a
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C35H34MgN4O6
Net Charge
0
Average Mass
630.974
Monoisotopic Mass
630.23288
InChI
InChI=1S/C35H36N4O6.Mg/c1-
8-
19-
14(2)
21-
13-
26-
28(18(6)
40)
16(4)
23(37-
26)
11-
22-
15(3)
20(9-
10-
27(41)
42)
32(38-
22)
30-
31(35(44)
45-
7)
34(43)
29-
17(5)
24(39-
33(29)
30)
12-
25(19)
36-
21;/h11-
13,15,20,31H,8-
10H2,1-
7H3,(H3,36,37,38,39,40,41,42,43)
;/q;+2/p-
2/t15-
,20-
,31+;/m0./s1
InChIKey
IRCCOQFJBKCMIV-CUSHWANBSA-L
SMILES
C=12N3C(=CC4=[N+]
5C(=CC=6N7C=8C(=C9[N+]
(=C(C1)
[C@H]
([C@@H]
9CCC(O)
=O)
C)
[Mg-
2]
735)
[C@H]
(C(C8C6C)
=O)
C(=O)
OC)
C(=C4C)
CC)
C(=C2C)
C(=O)
C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via
porphyrins
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-acetylchlorophyllide
a
(
CHEBI:91128
)
has role
bacterial metabolite (
CHEBI:76969
)
3-acetylchlorophyllide
a
(
CHEBI:91128
)
is a
chlorophyllide (
CHEBI:38206
)
3-acetylchlorophyllide
a
(
CHEBI:91128
)
is a
dicarboxylic acid monoester (
CHEBI:36244
)
3-acetylchlorophyllide
a
(
CHEBI:91128
)
is a
methyl ester (
CHEBI:25248
)
3-acetylchlorophyllide
a
(
CHEBI:91128
)
is a
methyl ketone (
CHEBI:51867
)
3-acetylchlorophyllide
a
(
CHEBI:91128
)
is conjugate acid of
3-acetylchlorophyllide
a
(2−) (
CHEBI:90794
)
Incoming
3-acetylchlorophyllide
a
(2−) (
CHEBI:90794
)
is conjugate base of
3-acetylchlorophyllide
a
(
CHEBI:91128
)
IUPAC Name
{3-
[(3
S
,4
S
,21
R
)-
9-
acetyl-
14-
ethyl-
21-
(methoxycarbonyl)-
4,8,13,18-
tetramethyl-
20-
oxophorbin-
3-
yl-
κ
4
N
23
,
N
24
,
N
25
,
N
26
]propanoato(2−)}magnesium
Synonym
Source
3-devinyl-3-acetyl-chlorophyllide
a
MetaCyc
Manual Xref
Database
CPD-18840
MetaCyc
View more database links
Citation
Type
Source
26088139
PubMed citation
Europe PMC
Last Modified
09 February 2016