Difference between revisions of "CPD-17624"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-]...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-] | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 1056.928 | ** 1056.928 | ||
| + | * inchi key: | ||
| + | ** InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I | ||
| + | * common name: | ||
| + | ** ω-carboxy-(9Z)-octadec-9-enoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 18-carboxyl oleoyl-CoA | ** 18-carboxyl oleoyl-CoA | ||
| Line 20: | Line 20: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820430 91820430] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820430 91820430] | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-]}} | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=1056.928 }} | {{#set: molecular weight=1056.928 }} | ||
| + | {{#set: inchi key=InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I}} | ||
| + | {{#set: common name=ω-carboxy-(9Z)-octadec-9-enoyl-CoA}} | ||
{{#set: common name=18-carboxyl oleoyl-CoA}} | {{#set: common name=18-carboxyl oleoyl-CoA}} | ||
{{#set: produced by=RXN-16418}} | {{#set: produced by=RXN-16418}} | ||
Latest revision as of 14:53, 10 January 2019
Contents
Metabolite CPD-17624
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-]
- molecular weight:
- 1056.928
- inchi key:
- InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I
- common name:
- ω-carboxy-(9Z)-octadec-9-enoyl-CoA
- Synonym(s):
- 18-carboxyl oleoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-" cannot be used as a page name in this wiki.
