hexan-1-ol
CHEBI:87393
·resolve ·ANTIBACTERIAL
·EXACT
SEEDED
A primary alcohol that is hexane substituted by a hydroxy group at position 1. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C6H14O |
|---|
| Charge | 0 |
|---|
| Average mass | 102.177 Da |
|---|
| Monoisotopic mass | 102.10447 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
|---|
SMILES
CCCCCCO
InChI
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Also called
- 1-hexanol (EXACT_SYNONYM)— chebi
- 1-hexyl alcohol (EXACT_SYNONYM)— chebi
- 1-hydroxyhexane (EXACT_SYNONYM)— chebi
- C6 alcohol (EXACT_SYNONYM)— chebi
- Caproic alcohol (EXACT_SYNONYM)— chebi
- alcohol C-6 (EXACT_SYNONYM)— chebi
- alcohol(C6) (EXACT_SYNONYM)— chebi
- amylcarbinol (EXACT_SYNONYM)— chebi
- caproyl alcohol (EXACT_SYNONYM)— chebi
- hexanol (EXACT_SYNONYM)— chebi
- hexanol-(1) (EXACT_SYNONYM)— chebi
- hexyl alcohol (EXACT_SYNONYM)— chebi
- n-hexan-1-ol (EXACT_SYNONYM)— chebi
- n-hexanol (EXACT_SYNONYM)— chebi
- n-hexyl alcohol (EXACT_SYNONYM)— chebi
- pentylcarbinol (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:111-27-3
- foodb.food:FDB008072
- hmdb:HMDB0012971
- knapsack:C00000358
- metacyc.compound:HEXANOL-CMPD
- pdb-ccd:HE2
- reaxys:969167
- wikipedia.en:1-Hexanol
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:87393 |
hexan-1-ol |
antibioticmech:chebi-e20a00db05 |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.