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ChEBI
> Main
CHEBI:57328 - 3'-dephospho-CoA(2−)
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ChEBI Name
3'-dephospho-CoA(2−)
ChEBI ID
CHEBI:57328
ChEBI ASCII Name
3'-dephospho-CoA(2-)
Definition
Dianion of 3'-dephospho-CoA.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H33N7O13P2S
Net Charge
-2
Average Mass
685.53800
Monoisotopic Mass
685.13433
InChI
InChI=1S/C21H35N7O13P2S/c1-
21(2,16(32)
19(33)
24-
4-
3-
12(29)
23-
5-
6-
44)
8-
39-
43(36,37)
41-
42(34,35)
38-
7-
11-
14(30)
15(31)
20(40-
11)
28-
10-
27-
13-
17(22)
25-
9-
26-
18(13)
28/h9-
11,14-
16,20,30-
32,44H,3-
8H2,1-
2H3,(H,23,29)
(H,24,33)
(H,34,35)
(H,36,37)
(H2,22,25,26)
/p-
2/t11-
,14-
,15-
,16+,20-
/m1/s1
InChIKey
KDTSHFARGAKYJN-IBOSZNHHSA-L
SMILES
CC(C)
(COP([O-
]
)
(=O)
OP([O-
]
)
(=O)
OC[C@H]
1O[C@H]
([C@H]
(O)
[C@@H]
1O)
n1cnc2c(N)
ncnc12)
[C@@H]
(O)
C(=O)
NCCC(=O)
NCCS
Metabolite of Species
Details
Saccharomyces cerevisiae
(NCBI:txid4932)
Source: yeast.sf.net See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3'-dephospho-CoA(2−) (
CHEBI:57328
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
3'-dephospho-CoA(2−) (
CHEBI:57328
)
has role
human metabolite (
CHEBI:77746
)
3'-dephospho-CoA(2−) (
CHEBI:57328
)
is a
organophosphate oxoanion (
CHEBI:58945
)
3'-dephospho-CoA(2−) (
CHEBI:57328
)
is conjugate base of
3'-dephospho-CoA (
CHEBI:15468
)
Incoming
3'-dephospho-CoA (
CHEBI:15468
)
is conjugate acid of
3'-dephospho-CoA(2−) (
CHEBI:57328
)
IUPAC Name
adenosine 5'-
{3-
[(3
R
)-
3-
hydroxy-
2,2-
dimethyl-
4-
oxo-
4-
({3-
oxo-
3-
[(2-
sulfanylethyl)amino]propyl}amino)butyl] diphosphate}
Synonym
Source
3'-dephospho-CoA
UniProt
Manual Xref
Database
DEPHOSPHO-COA
MetaCyc
View more database links
Last Modified
08 June 2021