(S)-mandelic acid

CHEBI:32800 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

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.

Label unavailable CHEBI:17375
mandelic acid CHEBI:35825

Chemical structure

Computed structure properties
Molecular formula	C8H8O3
Charge	0
Average mass	152.149 Da
Monoisotopic mass	152.04734 Da
Source	ChEBI
InChIKey	IWYDHOAUDWTVEP-ZETCQYMHSA-N

SMILES

O=C(O)[C@@H](O)c1ccccc1

InChI

InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1

Also called

(2S)-hydroxy(phenyl)acetic acid (EXACT_SYNONYM)— chebi
(S)-2-Hydroxy-2-phenylacetic acid (EXACT_SYNONYM)— chebi
(S)-MANDELIC ACID (EXACT_SYNONYM)— chebi
(S)-Mandelic acid (EXACT_SYNONYM)— chebi
(S)-Mandelsäure (EXACT_SYNONYM)— chebi
(S)-α-hydroxybenzeneacetic acid (EXACT_SYNONYM)— chebi
L-mandelic acid (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

beilstein:2208678
cas:17199-29-0
cas:611-72-3
gmelin:69017
kegg.compound:C01984
pdb-ccd:SMN

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

drugbank:DB03357

Activity roles

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

antibacterial agent CHEBI:33282

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:32800`	(S)-mandelic acid	`antibioticmech:chebi-2bf5cbd7d8`	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
RESEEDED_FROM_SOURCES 2026-09-10 · 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 (YAML).

Explore across X-Mech: MediaIngredientMech ((S)-mandelic acid) · CultureMech · NaturalProductMech · PathwayMech · TraitMech