Difference between revisions of "CPD-12449"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12449 CPD-12449] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC(O)=CC=1))COP(=O)...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] | ||
| + | * molecular weight: | ||
| + | ** 911.663 | ||
* inchi key: | * inchi key: | ||
** InChIKey=KGYNXBHEANIYOS-FUEUKBNZSA-J | ** InChIKey=KGYNXBHEANIYOS-FUEUKBNZSA-J | ||
* common name: | * common name: | ||
** 4-dihydrocoumaroyl-CoA | ** 4-dihydrocoumaroyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 4-hydroxydihydrocinnamoyl-CoA | ** 4-hydroxydihydrocinnamoyl-CoA | ||
| Line 21: | Line 21: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657717 90657717] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657717 90657717] | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} | ||
| + | {{#set: molecular weight=911.663 }} | ||
{{#set: inchi key=InChIKey=KGYNXBHEANIYOS-FUEUKBNZSA-J}} | {{#set: inchi key=InChIKey=KGYNXBHEANIYOS-FUEUKBNZSA-J}} | ||
{{#set: common name=4-dihydrocoumaroyl-CoA}} | {{#set: common name=4-dihydrocoumaroyl-CoA}} | ||
| − | |||
{{#set: common name=4-hydroxydihydrocinnamoyl-CoA|p-dihydrocoumaroyl-CoA}} | {{#set: common name=4-hydroxydihydrocinnamoyl-CoA|p-dihydrocoumaroyl-CoA}} | ||
{{#set: consumed by=RXN-11468}} | {{#set: consumed by=RXN-11468}} | ||
Latest revision as of 16:32, 9 January 2019
Contents
Metabolite CPD-12449
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
- molecular weight:
- 911.663
- inchi key:
- InChIKey=KGYNXBHEANIYOS-FUEUKBNZSA-J
- common name:
- 4-dihydrocoumaroyl-CoA
- Synonym(s):
- 4-hydroxydihydrocinnamoyl-CoA
- p-dihydrocoumaroyl-CoA
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)CCC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.
