(3S)-Citramalyl-CoA

cas: 940911-57-9 — see every product listed under this CAS number, including other names

(3S)-Citramalyl-CoA (CAS 940911-57-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-CE00306-Get quote
cas940911-57-9
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Structural formula: {0} (CAS {1})

(3S)-citramalyl-CoA is the (3S)-diastereomer of citramalyl-CoA. It is functionally related to a L-citramalic acid. It is a conjugate acid of a (3S)-citramalyl-CoA(5-).

Source: ChEBI

Identity
Molecular formulaC26H42N7O20P3S
Molecular weight897.6 g/mol
IUPAC name(2S)-4-[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-hydroxy-2-methyl-4-oxobutanoic acid
InChIKeyXYGOWHUIVNMEIA-XBVYHAPZSA-N
SMILESC[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)(C(=O)O)O

Computed by PubChem (NCBI)

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