12:0 Biotinyl Coenzyme A Triammonium salt

Catalog NumberBL-M000362
CAS Number2260670-05-9
DescriptionBiotinyl Coenzyme A Triammonium salt, also known as 12:0 Biotinyl CoA, is an altered version of Coenzyme A vital in the synthesis of fatty acids. Its application in cellular metabolism research and lipid biosynthesis studies is well-documented. Moreover, it serves as a valuable tool for exploring the impact of biotin inadequacy on diverse medical conditions.
IUPAC Nametriazanium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-[2-[12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoylsulfanyl]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] hydrogen phosphate
Synonyms12-N-biotinyl(aminododecanoyl) Coenzyme A (ammonium salt); 9H-Purin-6-amine, 9-[(2ξ)-5-O-[[[[[(3R)-30-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-2,2-dimethyl-4,8,13,26-tetraoxo-12-thia-5,9,25-triazatriacont-1-yl]oxy]hydroxyphosphi nyl]oxy]hydroxyphosphinyl]-3-O-phosphono-β-D-threo-pentofuranosyl]-, triammonium salt; (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-((((((((R)-3-hydroxy-2,2-dimethyl-4,8,13,26-tetraoxo-30-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-12-thia-5,9,25-triazatriacontyl)oxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphate triammonium salt
Molecular Weight1241.45
Molecular FormulaC43H82N13O19P3S2
Purity>99%
SolubilitySoluble in Chloroform, Methanol, Water
AppearanceWhite Solid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 41.57%, H 6.65%, N 14.66%, O 24.47%, P 7.48%, S 5.16
Canonical SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)O.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C43H73N10O19P3S2.3H3N/c1-43(2,24-69-75(66,67)72-74(64,65)68-22-28-36(71-73(61,62)63)35(57)41(70-28)53-26-50-34-38(44)48-25-49-39(34)53)37(58)40(59)47-19-17-31(55)46-20-21-76-32(56)16-10-8-6-4-3-5-7-9-13-18-45-30(54)15-12-11-14-29-33-27(23-77-29)51-42(60)52-33;;;/h25-29,33,35-37,41,57-58H,3-24H2,1-2H3,(H,45,54)(H,46,55)(H,47,59)(H,64,65)(H,66,67)(H2,44,48,49)(H2,51,52,60)(H2,61,62,63);3*1H3/t27-,28+,29-,33-,35?,36-,37-,41+;;;/m0.../s1
InChI KeyBXAVLTAZWJWQLX-XORDCUEDSA-N

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