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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:42121 - dipyrromethane cofactor
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ChEBI Ontology
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ChEBI Name
dipyrromethane cofactor
ChEBI ID
CHEBI:42121
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:42120, CHEBI:30410
Supplier Information
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Formula
C20H24N2O8
Net Charge
0
Average Mass
420.41324
Monoisotopic Mass
420.15327
InChI
InChI=1S/C20H24N2O8/c1-
10-
13(6-
19(27)
28)
12(3-
5-
18(25)
26)
16(22-
10)
8-
15-
14(7-
20(29)
30)
11(9-
21-
15)
2-
4-
17(23)
24/h9,21-
22H,2-
8H2,1H3,(H,23,24)
(H,25,26)
(H,27,28)
(H,29,30)
InChIKey
LCAXMKQKEYTFDM-UHFFFAOYSA-N
SMILES
Cc1[nH]c(Cc2[nH]cc(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O
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):
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).
prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dipyrromethane cofactor (
CHEBI:42121
)
has parent hydride
dipyrromethane (
CHEBI:36319
)
dipyrromethane cofactor (
CHEBI:42121
)
has role
cofactor (
CHEBI:23357
)
dipyrromethane cofactor (
CHEBI:42121
)
has role
prosthetic group (
CHEBI:26348
)
dipyrromethane cofactor (
CHEBI:42121
)
is a
tetracarboxylic acid (
CHEBI:35742
)
dipyrromethane cofactor (
CHEBI:42121
)
is conjugate acid of
dipyrromethane cofactor(4−) (
CHEBI:60342
)
Incoming
dipyrromethane cofactor(4−) (
CHEBI:60342
)
is conjugate base of
dipyrromethane cofactor (
CHEBI:42121
)
IUPAC Names
3,8-bis(carboxymethyl)-9-methyl-5,10-dihydrodipyrrin-2,7-dipropionic acid
3,8-bis(carboxymethyl)-9-methyldipyrromethane-2,7-dipropionic acid
Synonyms
Sources
3,8-bis(2-carboxyethyl)-2,7-bis(carboxymethyl)-1-methyldipyrromethane
COMe
3-
{2-
[4-
(2-
CARBOXY-
ETHYL)-
3-
CARBOXYMETHYL-
5H-
PYRROL-
2-
YLMETHYL]-
4-
CARBOXYMETHYL-
5-
METHYL-
2H-
PYRROL-
3-
YL}-
PROPIONIC ACID
PDBeChem
DIPYRROMETHANE COFACTOR
PDBeChem
Manual Xrefs
Databases
DB04517
DrugBank
DPM
PDBeChem
MOL000167
COMe
View more database links
Last Modified
26 July 2019