Difference between revisions of "CPD-13700"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13700 CPD-13700] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67)))) | ** CC(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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67)))) | ||
| + | * molecular weight: | ||
| + | ** 1089.98 | ||
* inchi key: | * inchi key: | ||
** InChIKey=CJJBDUCNUMWUJX-ZKTJOKCMSA-J | ** InChIKey=CJJBDUCNUMWUJX-ZKTJOKCMSA-J | ||
* common name: | * common name: | ||
** 3-oxo-4-pregnene-20-carboxyl-CoA | ** 3-oxo-4-pregnene-20-carboxyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 4-BNC-CoA | ** 4-BNC-CoA | ||
| Line 21: | Line 21: | ||
== 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=83792 83792] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83792 83792] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658487 90658487] | ||
{{#set: smiles=CC(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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}} | {{#set: smiles=CC(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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}} | ||
| + | {{#set: molecular weight=1089.98 }} | ||
{{#set: inchi key=InChIKey=CJJBDUCNUMWUJX-ZKTJOKCMSA-J}} | {{#set: inchi key=InChIKey=CJJBDUCNUMWUJX-ZKTJOKCMSA-J}} | ||
{{#set: common name=3-oxo-4-pregnene-20-carboxyl-CoA}} | {{#set: common name=3-oxo-4-pregnene-20-carboxyl-CoA}} | ||
| − | |||
{{#set: common name=4-BNC-CoA|androst-4-en-3-one-17-propanoyl-CoA|3-one-23,24-bisnorchol-4-en-22-yl-CoA|pregenenone-coA|3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA}} | {{#set: common name=4-BNC-CoA|androst-4-en-3-one-17-propanoyl-CoA|3-one-23,24-bisnorchol-4-en-22-yl-CoA|pregenenone-coA|3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA}} | ||
{{#set: produced by=RXN-12710}} | {{#set: produced by=RXN-12710}} | ||
Latest revision as of 15:58, 9 January 2019
Contents
Metabolite CPD-13700
- smiles:
- CC(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-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
- molecular weight:
- 1089.98
- inchi key:
- InChIKey=CJJBDUCNUMWUJX-ZKTJOKCMSA-J
- common name:
- 3-oxo-4-pregnene-20-carboxyl-CoA
- Synonym(s):
- 4-BNC-CoA
- androst-4-en-3-one-17-propanoyl-CoA
- 3-one-23,24-bisnorchol-4-en-22-yl-CoA
- pregenenone-coA
- 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(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-])[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.
