(S)-(−)-citronellal

CHEBI:368 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

The (3S)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal). — 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.

citronellal CHEBI:47856

Chemical structure

Computed structure properties
Molecular formula	C10H18O
Charge	0
Average mass	154.253 Da
Monoisotopic mass	154.13577 Da
Source	ChEBI
InChIKey	NEHNMFOYXAPHSD-JTQLQIEISA-N

SMILES

[H]C(=O)C[C@@H](C)CCC=C(C)C

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1

Also called

(3S)-3,7-dimethyloct-6-enal (EXACT_SYNONYM)— chebi
(3S)-(−)-citronellal (EXACT_SYNONYM)— chebi
(3S)-3,7-dimethyl-6-octenal (EXACT_SYNONYM)— chebi
(S)-(-)-Citronellal (EXACT_SYNONYM)— chebi
(S)-3,7-Dimethyloct-6-enal (EXACT_SYNONYM)— chebi
(S)-3,7-dimethyl-6-octenal (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

beilstein:1720790
beilstein:4654383
cas:5949-05-3
gmelin:2038127
kegg.compound:C11384
knapsack:C00010309
lipidmaps:LMPR0102010011

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:368`	(S)-(−)-citronellal	`antibioticmech:chebi-8f0365185c`	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.