Summary

IMPPAT Phytochemical identifier: IMPHY000639

Phytochemical name: (6R,8S)-hentriacontane-6,8-diol

Synonymous chemical names:
(6r*,8s*)-6,8-hentriacontanediol

External chemical identifiers:
CID:10073357, ZINC:ZINC000085831299

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCC[C@@H](C[C@@H](CCCCC)O)O

InChI:
InChI=1S/C31H64O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(33)29-30(32)27-25-6-4-2/h30-33H,3-29H2,1-2H3/t30-,31+/m1/s1

InChIKey:
QNOXEINYPHZJBN-JSOSNVBQSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCC[C@@H]C[C@@H]CCCCC)))))O)))O

Functional groups:
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 alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.503

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Chemical structure download