Difference between revisions of "CPD-13758"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13758 CPD-13758] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C(O)CCC2(C)(C(=O)...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * 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-] | ** 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-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 999.769 | ** 999.769 | ||
| + | * inchi key: | ||
| + | ** InChIKey=OGAHROYMEOBORV-XONGILKKSA-J | ||
| + | * common name: | ||
| + | ** 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-oxopropanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| Line 19: | Line 19: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657507 90657507] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657507 90657507] | ||
{{#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: 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: molecular weight=999.769 }} | {{#set: molecular weight=999.769 }} | ||
| + | {{#set: inchi key=InChIKey=OGAHROYMEOBORV-XONGILKKSA-J}} | ||
| + | {{#set: common name=3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-oxopropanoyl-CoA}} | ||
{{#set: produced by=RXN-12750}} | {{#set: produced by=RXN-12750}} | ||
Latest revision as of 11:10, 10 January 2019
Contents
Metabolite CPD-13758
- 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-]
- molecular weight:
- 999.769
- inchi key:
- InChIKey=OGAHROYMEOBORV-XONGILKKSA-J
- common name:
- 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-oxopropanoyl-CoA
- 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-oxopropanoyl-CoA" cannot be used as a page name in this wiki.
