eurysterol B sulfonic acid

CHEBI:68594 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A steroid sulfate that is 5α-cholestane with a double bond at position 22, hydroxy groups at positions 5 and 6, a bridged oxolane between positions 8 and 19 and a sulfate group at position 3. — 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:16158 CHEBI:16158
CHEBI:23824 CHEBI:23824
CHEBI:35990 CHEBI:35990
CHEBI:36851 CHEBI:36851
CHEBI:37407 CHEBI:37407
CHEBI:38194 CHEBI:38194

Chemical structure

Computed structure properties
Molecular formula	C27H44O7S
Charge	0
Average mass	512.709 Da
Monoisotopic mass	512.28077 Da
Source	ChEBI
InChIKey	QPVBWEUWNJWRLD-XPVUCKRVSA-N

SMILES

[H][C@@]12CC[C@]([H])([C@H](C)/C=C/CC(C)C)[C@@]1(C)CC[C@]1([H])[C@@]34CC[C@H](OS(=O)(=O)O)C[C@]3(O)[C@H](O)C[C@@]21OC4

InChI

InChI=1S/C27H44O7S/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25/h5,7,17-23,28-29H,6,8-16H2,1-4H3,(H,30,31,32)/b7-5+/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+/m1/s1

Also called

(3β,5α,6β,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl hydrogen sulfate (EXACT_SYNONYM)— chebi
(3β,5α,6β,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl sulfonic acid (EXACT_SYNONYM)— chebi

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:68594`	eurysterol B sulfonic acid	`antibioticmech:chebi-6759644137`	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.