Cyclopropanecarboxyl-CoA
chemical compound
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Cyclopropanecarboxyl-CoA
Summary
Cyclopropanecarboxyl-CoA is a group of stereoisomers[1].
Key Facts
- Cyclopropanecarboxyl-CoA's instance of is recorded as group of stereoisomers[2].
- Cyclopropanecarboxyl-CoA's CAS Registry Number is recorded as 52530-01-5[3].
- Cyclopropanecarboxyl-CoA's canonical SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4CC4)O[4].
- Cyclopropanecarboxyl-CoA's InChI is recorded as InChI=1S/C25H40N7O17P3S/c1-25(2,19(35)22(36)28-6-5-15(33)27-7-8-53-24(37)13-3-4-13)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,3-10H2,1-2H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1[5].
- Cyclopropanecarboxyl-CoA's InChIKey is recorded as NCSHVCWGZZSPQT-NNYIDDMCSA-N[6].
- Cyclopropanecarboxyl-CoA's chemical formula is recorded as C₂₅H₄₀N₇O₁₇P₃S[7].
- Cyclopropanecarboxyl-CoA's subclass of is recorded as chemical compound[8].
- Cyclopropanecarboxyl-CoA's ChemSpider ID is recorded as 35518473[9].
- Cyclopropanecarboxyl-CoA's PubChem CID is recorded as 23724685[10].
- Cyclopropanecarboxyl-CoA's KEGG ID is recorded as C16268[11].
- Cyclopropanecarboxyl-CoA's ChEBI ID is recorded as 80410[12].
- Cyclopropanecarboxyl-CoA's isomeric SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1C@HOP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4CC4)OC@HOP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4CC4)O">[13].
- Cyclopropanecarboxyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+835.141'}[14].
- Cyclopropanecarboxyl-CoA's DSSTox substance ID is recorded as DTXSID10966966[15].
- Cyclopropanecarboxyl-CoA's DSSTOX compound identifier is recorded as DTXCID301394578[16].
- Cyclopropanecarboxyl-CoA's UniChem compound ID is recorded as 1070137[17].