cis-dodec-3-enoyl-CoA

Base Information

• Chemical Name: cis-dodec-3-enoyl-CoA
• CAS No.: 2152-91-2
• Molecular Formula: C33H56 N7 O17 P3 S
• Molecular Weight: 947.82
• Wikidata: Q27103445
• Metabolomics Workbench ID: 51546
• Mol file: 2152-91-2.mol

Synonyms:cis-dodec-3-enoyl-CoA;3-cis-Dodecenoyl-CoA;(3Z)-Dodecenoyl-CoA;(3Z)-Dodec-3-enoyl-CoA;3-cis-Dodecenoyl coenzyme A;CHEBI:27989;LMFA07050302;C02944;Q27103445;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] (Z)-dodec-3-enethioate

Chemical Property of cis-dodec-3-enoyl-CoA

Chemical Property:

• PSA: 425.34000
• LogP: 4.62340
• XLogP3: -1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 29
• Exact Mass: 947.26662551
• Heavy Atom Count: 61
• Complexity: 1600

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCC(=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
• Isomeric SMILES: CCCCCCCC/C=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