Difference between revisions of "CPD-13699"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13699 CPD-13699] == * smiles: ** CC(C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(O...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C(=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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67)))) | ** CC(C(=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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67)))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 1132.017 | ** 1132.017 | ||
| + | * inchi key: | ||
| + | ** InChIKey=MUOUYOUSQGFFIP-GDRSPGQTSA-J | ||
| + | * common name: | ||
| + | ** 3,22-dioxochol-4-en-24-oyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=86014 86014] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=86014 86014] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658756 90658756] | ||
{{#set: smiles=CC(C(=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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}} | {{#set: smiles=CC(C(=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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=1132.017 }} | {{#set: molecular weight=1132.017 }} | ||
| + | {{#set: inchi key=InChIKey=MUOUYOUSQGFFIP-GDRSPGQTSA-J}} | ||
| + | {{#set: common name=3,22-dioxochol-4-en-24-oyl-CoA}} | ||
{{#set: consumed by=RXN-12710}} | {{#set: consumed by=RXN-12710}} | ||
Latest revision as of 14:45, 10 January 2019
Contents
Metabolite CPD-13699
- smiles:
- CC(C(=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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
- molecular weight:
- 1132.017
- inchi key:
- InChIKey=MUOUYOUSQGFFIP-GDRSPGQTSA-J
- common name:
- 3,22-dioxochol-4-en-24-oyl-CoA
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C(=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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))" cannot be used as a page name in this wiki.
