Summary

IMPPAT Phytochemical identifier: IMPHY009485

Phytochemical name: Pentatriacontane

Synonymous chemical names:
n-pentatriacontane, pentatriacontane

External chemical identifiers:
CID:12413, ZINC:ZINC000062238214, FDASRS:KP13LFH341, SureChEMBL:SCHEMBL198663

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

InChIKey:
VHQQPFLOGSTQPC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.07

---

Chemical structure download