Difference between revisions of "CPD-12199"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12199 CPD-12199] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] | ||
| + | * molecular weight: | ||
| + | ** 927.663 | ||
* inchi key: | * inchi key: | ||
** InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J | ** InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J | ||
* common name: | * common name: | ||
** 3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA | ** 3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA | ** 3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA | ||
| Line 18: | Line 18: | ||
== 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=73549 73549] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73549 73549] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173446 46173446] | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} | ||
| + | {{#set: molecular weight=927.663 }} | ||
{{#set: inchi key=InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J}} | {{#set: inchi key=InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J}} | ||
{{#set: common name=3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA}} | {{#set: common name=3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA}} | ||
| − | |||
{{#set: common name=3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA}} | {{#set: common name=3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA}} | ||
{{#set: consumed by=RXN-11245}} | {{#set: consumed by=RXN-11245}} | ||
{{#set: produced by=RXN-11244}} | {{#set: produced by=RXN-11244}} | ||
Latest revision as of 15:43, 9 January 2019
Contents
Metabolite CPD-12199
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
- molecular weight:
- 927.663
- inchi key:
- InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J
- common name:
- 3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA
- Synonym(s):
- 3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.
