Summary

IMPPAT Phytochemical identifier: IMPHY017106

Phytochemical name: 2-Methylheptacosane

Synonymous chemical names:
2-methylheptacosane

External chemical identifiers:
CID:14275209, ZINC:ZINC000139723784, SureChEMBL:SCHEMBL5306193

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C28H58/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(2)3/h28H,4-27H2,1-3H3

InChIKey:
NIYAMIIVLUIWBI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC)C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.238

---

Chemical structure download