Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017904

Phytochemical name: 35-Hydroxynonatriacontanal

Synonymous chemical names:
35-Hydroxynonatriacontanal

External chemical identifiers:
CID:CID_54013478

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Chemical structure information

SMILES:
O=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCC)O

InChI:
InChI=1S/C39H78O2/c1-2-3-36-39(41)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40/h38-39,41H,2-37H2,1H3

InChIKey:
KTZODTRIHVHCNK-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC))))O

Functional groups:
CC=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.58

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Chemical structure download