Spermidine-d6
カタログ番号 B8084160
分子量: 151.28 g/mol
InChIキー: ATHGHQPFGPMSJY-RCKJUGKUSA-N
注意: 研究専用です。人間または獣医用ではありません。
Patent
US05677350
Procedure details
In vivo, the first step in the biosynthesis of spermidine and spermine is decarboxylation of ornithine (2,5-diaminopentanoic acid, H2 N(CH2)3CH(NH2)CO2H) by ornithine decarboxylase (ODC) to yield putrescine. Spermidine is then synthesized by transfer of an activated aminopropyl group from S-adenosyl S-methyl homocystaeamine to putrescine. Spermine is formed by addition of a further aminopropyl group to spermidine.
Name
Name
Identifiers
|
REACTION_CXSMILES
|
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][CH2:9][NH2:10].[NH2:11][CH2:12][CH2:13][CH2:14]CN>>[NH2:10][CH2:9][CH2:8][CH2:7][NH:6][CH2:5][CH2:4][CH2:3][CH2:2][NH:1][CH2:14][CH2:13][CH2:12][NH2:11].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][CH2:9][NH2:10]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
NCCCCNCCCN
|
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
NCCCCN
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
NCCCNCCCCNCCCN
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
NCCCCNCCCN
|
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
Patent
US05677350
Procedure details
In vivo, the first step in the biosynthesis of spermidine and spermine is decarboxylation of ornithine (2,5-diaminopentanoic acid, H2 N(CH2)3CH(NH2)CO2H) by ornithine decarboxylase (ODC) to yield putrescine. Spermidine is then synthesized by transfer of an activated aminopropyl group from S-adenosyl S-methyl homocystaeamine to putrescine. Spermine is formed by addition of a further aminopropyl group to spermidine.
Name
Name
Identifiers
|
REACTION_CXSMILES
|
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][CH2:9][NH2:10].[NH2:11][CH2:12][CH2:13][CH2:14]CN>>[NH2:10][CH2:9][CH2:8][CH2:7][NH:6][CH2:5][CH2:4][CH2:3][CH2:2][NH:1][CH2:14][CH2:13][CH2:12][NH2:11].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][CH2:9][NH2:10]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
NCCCCNCCCN
|
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
NCCCCN
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
NCCCNCCCCNCCCN
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
NCCCCNCCCN
|
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
Patent
US05677350
Procedure details
In vivo, the first step in the biosynthesis of spermidine and spermine is decarboxylation of ornithine (2,5-diaminopentanoic acid, H2 N(CH2)3CH(NH2)CO2H) by ornithine decarboxylase (ODC) to yield putrescine. Spermidine is then synthesized by transfer of an activated aminopropyl group from S-adenosyl S-methyl homocystaeamine to putrescine. Spermine is formed by addition of a further aminopropyl group to spermidine.
Name
Name
Identifiers
|
REACTION_CXSMILES
|
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][CH2:9][NH2:10].[NH2:11][CH2:12][CH2:13][CH2:14]CN>>[NH2:10][CH2:9][CH2:8][CH2:7][NH:6][CH2:5][CH2:4][CH2:3][CH2:2][NH:1][CH2:14][CH2:13][CH2:12][NH2:11].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][CH2:9][NH2:10]
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
NCCCCNCCCN
|
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
NCCCCN
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
NCCCNCCCCNCCCN
|
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
NCCCCNCCCN
|
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
