pivalyl-coenzyme a
chemical compound
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pivalyl-coenzyme a
Summary
pivalyl-coenzyme an is a group of stereoisomers[1].
Key Facts
- pivalyl-coenzyme a's instance of is recorded as group of stereoisomers[2].
- pivalyl-coenzyme a's CAS Registry Number is recorded as 137415-16-8[3].
- pivalyl-coenzyme a's canonical SMILES is recorded as CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O[4].
- pivalyl-coenzyme a's InChI is recorded as InChI=1S/C26H44N7O17P3S/c1-25(2,3)24(38)54-9-8-28-15(34)6-7-29-22(37)19(36)26(4,5)11-47-53(44,45)50-52(42,43)46-10-14-18(49-51(39,40)41)17(35)23(48-14)33-13-32-16-20(27)30-12-31-21(16)33/h12-14,17-19,23,35-36H,6-11H2,1-5H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,17-,18-,19+,23-/m1/s1[5].
- pivalyl-coenzyme a's InChIKey is recorded as FCMKBHDFOPWWQK-NDZSKPAWSA-N[6].
- pivalyl-coenzyme a's chemical formula is recorded as C₂₆H₄₄N₇O₁₇P₃S[7].
- pivalyl-coenzyme a's subclass of is recorded as chemical compound[8].
- pivalyl-coenzyme a's PDB structure ID is recorded as 5CJW[9].
- pivalyl-coenzyme a's ChemSpider ID is recorded as 7822294[10].
- pivalyl-coenzyme a's PubChem CID is recorded as 9543321[11].
- pivalyl-coenzyme a's ChEBI ID is recorded as 137545[12].
- pivalyl-coenzyme a's found in taxon is recorded as brown rat[13].
- pivalyl-coenzyme a's isomeric SMILES is recorded as CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)C@@HOC@@HO">[14].
- pivalyl-coenzyme a's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+851.173'}[15].
- pivalyl-coenzyme a's SureChEMBL ID is recorded as 30508930[16].
- pivalyl-coenzyme a's SureChEMBL ID is recorded as 30508932[17].
- pivalyl-coenzyme a's SureChEMBL ID is recorded as 7524149[18].
- pivalyl-coenzyme a's DSSTox substance ID is recorded as DTXSID201046750[19].
- pivalyl-coenzyme a's PDB ligand ID is recorded as 52O[20].
- pivalyl-coenzyme a's UniChem compound ID is recorded as 43851549[21].