2-methylhexanoyl-CoA
chemical compound
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2-methylhexanoyl-CoA
Summary
2-methylhexanoyl-CoA is a group of stereoisomers[1].
Key Facts
- 2-methylhexanoyl-CoA's instance of is recorded as group of stereoisomers[2].
- 2-methylhexanoyl-CoA's canonical SMILES is recorded as CCCCC(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[3].
- 2-methylhexanoyl-CoA's InChI is recorded as InChI=1S/C28H48N7O17P3S/c1-5-6-7-16(2)27(40)56-11-10-30-18(36)8-9-31-25(39)22(38)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,5-13H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t16?,17-,20-,21-,22+,26-/m1/s1[4].
- 2-methylhexanoyl-CoA's InChIKey is recorded as QZBBWKARTWOCMU-CRVKRRNDSA-N[5].
- 2-methylhexanoyl-CoA's chemical formula is recorded as C₂₈H₄₈N₇O₁₇P₃S[6].
- 2-methylhexanoyl-CoA's subclass of is recorded as fatty acyl-CoA[7].
- 2-methylhexanoyl-CoA's ChemSpider ID is recorded as 7822249[8].
- 2-methylhexanoyl-CoA's PubChem CID is recorded as 9543276[9].
- 2-methylhexanoyl-CoA's ChEBI ID is recorded as 90224[10].
- 2-methylhexanoyl-CoA's isomeric SMILES is recorded as CCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C@@HOC@@HO">[11].
- 2-methylhexanoyl-CoA's Human Metabolome Database ID is recorded as HMDB0011660[12].
- 2-methylhexanoyl-CoA's LIPID MAPS ID is recorded as LMFA07050192[13].
- 2-methylhexanoyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+879.204024'}[14].
- 2-methylhexanoyl-CoA's SureChEMBL ID is recorded as 3194348[15].
- 2-methylhexanoyl-CoA's UniChem compound ID is recorded as 56229057[16].