isoamylol

CHEBI:15837 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. — 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.

CHEBI:134179 CHEBI:134179
CHEBI:15734 CHEBI:15734
CHEBI:50584 CHEBI:50584

Chemical structure

Computed structure properties
Molecular formula	C5H12O
Charge	0
Average mass	88.15 Da
Monoisotopic mass	88.08882 Da
Source	ChEBI
InChIKey	PHTQWCKDNZKARW-UHFFFAOYSA-N

SMILES

CC(C)CCO

InChI

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

Also called

3-methylbutan-1-ol (EXACT_SYNONYM)— chebi
1-HYDROXY-3-METHYLBUTANE (EXACT_SYNONYM)— chebi
2-methyl-4-butanol (EXACT_SYNONYM)— chebi
3-Methylbutanol (EXACT_SYNONYM)— chebi
3-methyl-1-butanol (EXACT_SYNONYM)— chebi
Iso-amylalkohol (EXACT_SYNONYM)— chebi
Isoamyl alcohol (EXACT_SYNONYM)— chebi
Isopentyl alcohol (EXACT_SYNONYM)— chebi
Isopentylalkohol (EXACT_SYNONYM)— chebi
alcool isoamylique (EXACT_SYNONYM)— chebi
i-amyl alcohol (EXACT_SYNONYM)— chebi
isobutylcarbinol (EXACT_SYNONYM)— chebi
isopentan-1-ol (EXACT_SYNONYM)— chebi
isopentanol (EXACT_SYNONYM)— chebi
primary isoamyl alcohol (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:123-51-3
drugbank:DB02296
gmelin:49460
hmdb:HMDB0006007
kegg.compound:C07328
reaxys:1718835
ymdb:YMDB00570

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:35718 CHEBI:35718

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:15837`	isoamylol	`antibioticmech:chebi-e411a778e0`	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.