Summary

IMPPAT Phytochemical identifier: IMPHY008975

Phytochemical name: (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol

Synonymous chemical names:
glycinoprenol-10

External chemical identifiers:
CID:14380586, ZINC:ZINC000238740634

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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(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)/C)/C)/C)/C)/C)/C

InChI:
InChI=1S/C50H88O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h27,29,31,33,35,37,39,41-43,51H,12-26,28,30,32,34,36,38,40H2,1-11H3/b44-27+,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-/t42-,43-/m1/s1

InChIKey:
VXLKCFIDVJZHGS-KACQORBASA-N

DeepSMILES:
OC/C=CCC/C=CCC/C=CCC/C=CCC/C=CCC/C=CCC/C=C/CCC[C@@H]CCC[C@@H]CCCCC)C)))))C)))))C)))))C)))))/C)))))/C)))))/C)))))/C)))))/C)))))/C

Functional groups:
C/C=C(/C)C, C/C=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: Dolichols, Polyprenol derivatives

NP-Likeness score: 0.829

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Chemical structure download