Difference between revisions of "COUMARALDEHYDE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETYL-P ACETYL-P] == * smiles: ** CC(OP([O-])(=O)[O-])=O * inchi key: ** InChIKey=LIPOUNRJVLNB...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)C...") |
||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] == |
* smiles: | * smiles: | ||
| − | ** CC(OP([O-])(=O)[O-])=O | + | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-] |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J |
* common name: | * common name: | ||
| − | ** | + | ** 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 1001.785 |
* Synonym(s): | * Synonym(s): | ||
| − | |||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[ | + | * [[RXN-12750]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657574 90657574] |
| − | + | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}} | |
| − | + | {{#set: inchi key=InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J}} | |
| − | + | {{#set: common name=3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA}} | |
| − | + | {{#set: molecular weight=1001.785 }} | |
| − | + | {{#set: consumed by=RXN-12750}} | |
| − | + | ||
| − | + | ||
| − | + | ||
| − | {{#set: smiles=CC(OP([O-])(=O)[O-])=O}} | + | |
| − | {{#set: inchi key=InChIKey= | + | |
| − | {{#set: common name= | + | |
| − | {{#set: molecular weight= | + | |
| − | + | ||
| − | {{#set: consumed by= | + | |
Revision as of 17:26, 10 January 2018
Contents
Metabolite CPD-13757
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
- inchi key:
- InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J
- common name:
- 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA
- molecular weight:
- 1001.785
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-" cannot be used as a page name in this wiki.
"3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA" cannot be used as a page name in this wiki.
