Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID004802
Phytochemical name: 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol
Synonymous chemical names:octaethylene glycol
External chemical identifiers:CID:CID_78798, ChEBI:CHEBI:44794, ZINC:ZINC000005178830, SureChEMBL:SCHEMBL45160, MolPort-003-926-911
Chemical structure information
SMILES:
OCCOCCOCCOCCOCCOCCOCCOCCOInChI:
InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2InChIKey:
GLZWNFNQMJAZGY-UHFFFAOYSA-NDeepSMILES:
OCCOCCOCCOCCOCCOCCOCCOCCOFunctional groups:
CO, COCLink to spectral information:
MSBNK-UFZ-UP000472, MSBNK-UFZ-UP000486, MSBNK-UFZ-UP000487, MSBNK-UFZ-UP000488, MSBNK-UFZ-UP000489, MSBNK-UFZ-UP000524, MSBNK-UFZ-UP000513, MSBNK-UFZ-UP000525, MSBNK-UFZ-UP000537, MSBNK-UFZ-UP000538, MSBNK-UFZ-UP000512, MSBNK-UFZ-UP000471, MSBNK-UFZ-UP000469, MSBNK-UFZ-UP000438, MSBNK-UFZ-UP000437, MSBNK-UFZ-UP000436, MSBNK-UFZ-UP000435, MSBNK-UFZ-UP000434, MSBNK-UFZ-UP000394, MSBNK-UFZ-UP000393, MSBNK-UFZ-UP000392, MSBNK-UFZ-UP000391, MSBNK-UFZ-UP000390, MSBNK-UFZ-UP000470
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Ethers
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Glycerolipids
NP Classifier Class: Monoacylglycerols
NP-Likeness score: 0.02
Chemical structure download
