Difference between revisions of "CPD-13755"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13755 CPD-13755] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[C...") |
|||
| Line 1: | Line 1: | ||
| − | [[Category: | + | [[Category:Metabolite]] |
| − | == | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13755 CPD-13755] == |
| − | * | + | * smiles: |
| − | ** [ | + | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-] |
| + | * inchi key: | ||
| + | ** InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J | ||
* common name: | * common name: | ||
| − | ** | + | ** 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA |
| + | * molecular weight: | ||
| + | ** 985.786 | ||
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 5OH-HIP-CoA |
| − | == Reaction(s) | + | == Reaction(s) known to consume the compound == |
| − | + | == Reaction(s) known to produce the compound == | |
| − | + | * [[RXN-12747]] | |
| − | == Reaction(s) | + | == Reaction(s) of unknown directionality == |
| − | * [ | + | |
| − | + | ||
| − | + | ||
| − | + | ||
== External links == | == External links == | ||
| − | {{#set: | + | * PUBCHEM: |
| − | {{#set: | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86290216 86290216] |
| − | {{#set: common name= | + | * CHEBI: |
| − | {{#set: | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83738 83738] |
| − | {{#set: | + | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J}} |
| + | {{#set: common name=5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}} | ||
| + | {{#set: molecular weight=985.786 }} | ||
| + | {{#set: common name=5OH-HIP-CoA}} | ||
| + | {{#set: produced by=RXN-12747}} | ||
Revision as of 15:11, 23 May 2018
Contents
Metabolite CPD-13755
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
- inchi key:
- InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J
- common name:
- 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
- molecular weight:
- 985.786
- Synonym(s):
- 5OH-HIP-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)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-" cannot be used as a page name in this wiki.
"5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA" cannot be used as a page name in this wiki.
