Methylmalonyl-coenzyme A

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Systematic / IUPAC Name: 3-[2-(3-{[(2R)-4-({[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl}oxy-hydroxyphosphoryl)oxy-2-hydroxy-3,3-dimethylbutanoyl]amino}propanoylamino)ethylsulfanyl]-2-methyl-3-oxopropanoic acid

ID: Reference1336

Other Names: Methylmalonyl-CoA;
Coenzyme A, methylmalonyl-;
Methylmalonyl-Coenzyme A

Formula: C25H40N7O19P3S

Class: Endogenous Metabolites

Spectral Data

Methylmalonyl-coenzyme A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 161
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2016 11:02:18 AM
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Identificators

InChI InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1
InChI Key MZFOKIKEPGUZEN-FBMOWMAESA-N
Canonical SMILES
CAS 1264455
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Other Names Methylmalonyl-CoA;
Coenzyme A, methylmalonyl-;
Methylmalonyl-Coenzyme A

In Other Databases

ChemIDPlus 001264455
Wikipedia Methylmalonyl-CoA
ChEBI CHEBI:16625
PubChem 123909
ChemSpider 110440
KEGG C02557