Difference between revisions of "CPD-9406"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9406 CPD-9406] == * smiles: ** CCC(C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCC(C(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-])=O)C([O-])=O | ** CCC(C(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-])=O)C([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 876.595 | ** 876.595 | ||
| + | * inchi key: | ||
| + | ** InChIKey=VUGZQVCBBBEZQE-UQCJFRAESA-I | ||
| + | * common name: | ||
| + | ** (2S)-ethylmalonyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** (S)-ethylmalonyl-CoA | ** (S)-ethylmalonyl-CoA | ||
| Line 17: | Line 17: | ||
* [[RXN-13029]] | * [[RXN-13029]] | ||
== External links == | == External links == | ||
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| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60909 60909] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60909 60909] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49852423 49852423] | ||
{{#set: smiles=CCC(C(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-])=O)C([O-])=O}} | {{#set: smiles=CCC(C(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-])=O)C([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=876.595 }} | {{#set: molecular weight=876.595 }} | ||
| + | {{#set: inchi key=InChIKey=VUGZQVCBBBEZQE-UQCJFRAESA-I}} | ||
| + | {{#set: common name=(2S)-ethylmalonyl-CoA}} | ||
{{#set: common name=(S)-ethylmalonyl-CoA}} | {{#set: common name=(S)-ethylmalonyl-CoA}} | ||
{{#set: reversible reaction associated=RXN-13029}} | {{#set: reversible reaction associated=RXN-13029}} | ||
Latest revision as of 15:38, 10 January 2019
Contents
Metabolite CPD-9406
- smiles:
- CCC(C(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-])=O)C([O-])=O
- molecular weight:
- 876.595
- inchi key:
- InChIKey=VUGZQVCBBBEZQE-UQCJFRAESA-I
- common name:
- (2S)-ethylmalonyl-CoA
- Synonym(s):
- (S)-ethylmalonyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CCC(C(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-])=O)C([O-])=O" cannot be used as a page name in this wiki.
