Summary

IMPPAT Phytochemical identifier: IMPHY006346

Phytochemical name: Glycerol 1,2-di-(9Z-octadecenoate) 3-octadecanoate

Synonymous chemical names:
stearo-oleolinolein, stearodiolein

External chemical identifiers:
CID:6182417, MolPort-003-940-995

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI:
InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25+,30-27+

InChIKey:
RYNHWWNZNIGDAQ-WGSDILPMSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCC/C=C/CCCCCCCC)))))))))))))))))))COC=O)CCCCCCC/C=C/CCCCCCCC

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerolipids

ClassyFire Subclass: Triradylcglycerols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Triacylglycerols

NP-Likeness score: 0.376

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Chemical structure download