Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010069

Phytochemical name: Glycinoprenol-9

Synonymous chemical names:
Glycinoprenol-9, glycinoprenol-9

External chemical identifiers:
CID:CID_9547193

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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(/CCCC(CCCC(CCCC(C)C)C)C)\C)/C)/C)/C)/C)/C

InChI:
InChI=1S/C45H80O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h25,27,29,31,33,35,37-39,46H,11-24,26,28,30,32,34,36H2,1-10H3/b40-25+,41-27-,42-29-,43-31-,44-33-,45-35-

InChIKey:
FWVIPKAFIXXKIW-ZSCINCOVSA-N

DeepSMILES:
OC/C=C\CC/C=C\CC/C=C\CC/C=C\CC/C=C\CC/C=C/CCCCCCCCCCCCC)C)))))C)))))C)))))\C)))))/C)))))/C)))))/C)))))/C)))))/C

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

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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: Polyprenol derivatives

NP-Likeness score: 0.919

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Chemical structure download