Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004615

Phytochemical name: Geranylgeranyl octadecanoate

Synonymous chemical names:
Geranylgeranyl octadecanoate, geranylgeranyl octadecanoate

External chemical identifiers:
CID:CID_14413715, ZINC:ZINC000142041630, SureChEMBL:SCHEMBL8623272

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C

InChI:
InChI=1S/C38H68O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38(39)40-33-32-37(6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h25,27,29,32H,7-24,26,28,30-31,33H2,1-6H3/b35-27+,36-29+,37-32+

InChIKey:
PKPQRPBOVUDOLF-JJKPFOCASA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))\C)))))\C)))))\C

Functional groups:
CC=C(C)C, COC(C)=O, C/C=C(/C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 0.889

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Chemical structure download