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(7Z,10Z,13Z)-Hexadecatrienoic acid
PHCD compound ID : 4738
Chemical Names :
(7Z,10Z,13Z)-Hexadecatrienoic acid
Molecular Formula : C16H25O2
Molecular Weight : 249.185455
More Details :
Names & Synonyms: (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
Smiles: CC/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-]
InChi : InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/p-1/b4-3-,7-6-,10-9-
InChi Key : InChIKey=KBGYPXOSNDMZRV-PDBXOOCHSA-M
PubChem ID : 91820460
Rotatable bond count : 11 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 4.535649
Hydrogen bond donor count : 0 Electric dipole moment : 13.369
XLogP : 5.919 VDW volume : 291.008602
Molecular weight : 249.185455 HOMO-LUMO gap : 8.181000
Herb list :
Refrences & Litretures:
  
750.      Journal:'Phytochemistry'      Year:'2009'      Volume:'70'      Page:'924'      DOI:'10.1016/j.phytochem.2009.04.019'      Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'
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