Difference between revisions of "CPD-13695"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] == * smiles: ** CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(CCC(=O)C(C(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67)))) | ** CC(CCC(=O)C(C(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67)))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 1174.098 | ** 1174.098 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J | ||
| + | * common name: | ||
| + | ** 3,24-dioxocholest-4-en-26-oyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** cholest-4-en--3,24,dione-26-oyl-CoA | ** cholest-4-en--3,24,dione-26-oyl-CoA | ||
| Line 20: | Line 20: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515485 102515485] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515485 102515485] | ||
{{#set: smiles=CC(CCC(=O)C(C(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}} | {{#set: smiles=CC(CCC(=O)C(C(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=1174.098 }} | {{#set: molecular weight=1174.098 }} | ||
| + | {{#set: inchi key=InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J}} | ||
| + | {{#set: common name=3,24-dioxocholest-4-en-26-oyl-CoA}} | ||
{{#set: common name=cholest-4-en--3,24,dione-26-oyl-CoA}} | {{#set: common name=cholest-4-en--3,24,dione-26-oyl-CoA}} | ||
{{#set: produced by=RXN-12705}} | {{#set: produced by=RXN-12705}} | ||
Latest revision as of 14:13, 10 January 2019
Contents
Metabolite CPD-13695
- smiles:
- CC(CCC(=O)C(C(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
- molecular weight:
- 1174.098
- inchi key:
- InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J
- common name:
- 3,24-dioxocholest-4-en-26-oyl-CoA
- Synonym(s):
- cholest-4-en--3,24,dione-26-oyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CC(CCC(=O)C(C(=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-])C)[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.
