(S)-3-Hydroxydecanoyl-CoA

Base Information

• Chemical Name: (S)-3-Hydroxydecanoyl-CoA
• CAS No.: 79171-49-6
• Molecular Formula: C31H54 N7 O18 P3 S
• Molecular Weight: 937.78
• Wikidata: Q27103637
• Metabolomics Workbench ID: 51679
• Mol file: 79171-49-6.mol

Synonyms:(S)-3-Hydroxydecanoyl-CoA;beta-hydroxydecanoyl-CoA;beta-hydroxydecanoyl coenzyme A;(S)-Hydroxydecanoyl-CoA;3-OH C10:0-CoA;coenzyme A S-3-hydroxydecanoate;S-(3-hydroxydecanoyl)coenzyme A;3-OH 10:0-CoA;(S)-3-hydroxydecanoyl-coenzyme A;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate};SCHEMBL2934683;CHEBI:28325;C05264;Q27103637;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] (3S)-3-hydroxydecanethioate

Chemical Property of (S)-3-Hydroxydecanoyl-CoA

Chemical Property:

• PSA: 438.59000
• Density: 1.703g/cm³
• LogP: 2.13920
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 28
• Exact Mass: 937.24589007
• Heavy Atom Count: 60
• Complexity: 1550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O
• Isomeric SMILES: CCCCCCC[C@@H](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)O