Summary

IMPPAT Phytochemical identifier: IMPHY008780

Phytochemical name: Undecaprenol

Synonymous chemical names:
ficaprenol

External chemical identifiers:
CID:5280474, ChEBI:16591, ZINC:ZINC000008217488, SureChEMBL:SCHEMBL788109

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Chemical structure information

SMILES:
OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C)C)C)C)C)C)C

InChI:
InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+

InChIKey:
TXKJNHBRVLCYFX-RDQGWRCRSA-N

DeepSMILES:
OC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))C)))))C)))))C)))))C)))))C)))))C)))))C)))))C

Functional groups:
C/C=C(/C)C, CC=C(C)C, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Polyprenols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Polyprenols

NP Classifier Class: Bactoprenols

NP-Likeness score: 0.626

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Chemical structure download