Difference between revisions of "CPD-13534"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13534 CPD-13534] == * smiles: ** CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OC...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-] | ** CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-] | ||
| + | * molecular weight: | ||
| + | ** 861.604 | ||
* inchi key: | * inchi key: | ||
** InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J | ** InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J | ||
* common name: | * common name: | ||
** β-ketovaleryl-CoA | ** β-ketovaleryl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
| Line 19: | Line 19: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658928 90658928] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658928 90658928] | ||
{{#set: smiles=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}} | {{#set: smiles=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}} | ||
| + | {{#set: molecular weight=861.604 }} | ||
{{#set: inchi key=InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J}} | {{#set: inchi key=InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J}} | ||
{{#set: common name=β-ketovaleryl-CoA}} | {{#set: common name=β-ketovaleryl-CoA}} | ||
| − | |||
{{#set: reversible reaction associated=RXN-12561}} | {{#set: reversible reaction associated=RXN-12561}} | ||
Latest revision as of 16:08, 9 January 2019
Contents
Metabolite CPD-13534
- smiles:
- CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
- molecular weight:
- 861.604
- inchi key:
- InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J
- common name:
- β-ketovaleryl-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:
"CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.
