Structural formula of Coenzyme A free acid

Coenzyme A free acid

Product number: 19-1001
CAS number: 85-61-0
Synonyms: Aluzime, CoA, Adenosine 5′-(trihydrogen diphosphate) 3′-(dihydrogen phosphate) P′-[(R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, Adenosine 5′-(trihydrogen diphosphate), 3′-(dihydrogen phosphate), P′-[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, (R)-, D-Coenzyme A, CoA-SH, Thiol-CoA, Lucina, Reduced CoA, Coalip, Coenzyme ASH

Identifiers

CAS Index Name: Coenzyme A
Molecular formula: C21H36N7O16P3S
Molecular weight: 767.54
Smiles: O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O
Isomeric Smiles: OC1C(N2C=3C(N=C2)=C(N)N=CN3)OC(COP(OP(OCC(C(C(NCCC(NCCS)=O)=O)O)(C)C)(=O)O)(=O)O)C1OP(=O)(O)O
InChI: InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
InChIKey: InChIKey=RGJOEKWQDUBAIZ-IBOSZNHHSA-N

Product information

Purity: >94%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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19-1001-11Coenzyme A free acid - 250 mg230.00 €
19-1001-12Coenzyme A free acid - 500 mg345.00 €
19-1001-13Coenzyme A free acid - 1 g529.00 €
19-1001-8Coenzyme A free acid - 50 mg115.00 €