Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000482

Phytochemical name: Pentacosane

Synonymous chemical names:
pentacosane,n, n-pentacosane, Pentacosane, n-pentacosane*, pentacosane*, pentacosane, n-, pentacosane, n, n-pentacosane (c-25), pentacosane

External chemical identifiers:
CID:CID_12406, ChEBI:CHEBI:32938, ZINC:ZINC000006920418, FDASRS:BON9H94Y8V, SureChEMBL:SCHEMBL198343, MolPort-003-929-240

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3

InChIKey:
YKNWIILGEFFOPE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC

---

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: 0.098

---

Chemical structure download