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s-But-2-enoylcoenzyme a

CAS
992-67-6
Catalog Number
ACM992676
Category
Other Products
Molecular Formula
C25H40N7O17P3S

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What is the molecular formula of crotonoyl-CoA according to the reference?

The molecular formula of crotonoyl-CoA is C25H40N7O17P3S.

When was crotonoyl-CoA created and modified according to the reference?

Crotonoyl-CoA was created on 2005-06-01 and modified on 2023-12-30.

What is another name for crotonoyl-CoA mentioned in the reference?

Another name for crotonoyl-CoA is but-2-enoyl-CoA.

What is the molecular weight of crotonoyl-CoA according to the reference?

The molecular weight of crotonoyl-CoA is 835.6 g/mol.

In which organism is crotonoyl-CoA a metabolite, as mentioned in the reference?

Crotonoyl-CoA is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

What is the IUPAC name of crotonoyl-CoA as per the reference?

The IUPAC name of crotonoyl-CoA is S-[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]ethyl] (E)-but-2-enethioate.

What is the InChIKey for crotonoyl-CoA according to the reference?

The InChIKey for crotonoyl-CoA is KFWWCMJSYSSPSK-PAXLJYGASA-N.

What is the Canonical SMILES representation of crotonoyl-CoA mentioned in the reference?

The Canonical SMILES representation of crotonoyl-CoA is CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(O1)N2C=NC3=C(N=CN=C32)N)OP(=O)(O)O.

What is the CAS number for crotonoyl-CoA mentioned in the reference?

The CAS number for crotonoyl-CoA is 992-67-6.

What is the XLogP3 value of crotonoyl-CoA according to the reference?

The XLogP3 value of crotonoyl-CoA is -4.8.

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