AntibioticMech

(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol

CHEBI:228372 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:139333 CHEBI:139333
• CHEBI:17354 CHEBI:17354
• CHEBI:36836 CHEBI:36836
• CHEBI:36843 CHEBI:36843
• CHEBI:36851 CHEBI:36851
• CHEBI:36852 CHEBI:36852
• CHEBI:62846 CHEBI:62846
• CHEBI:83147 CHEBI:83147

Chemical structure

Computed structure properties

Molecular formula	C27H48O8
Charge	0
Average mass	500.673 Da
Monoisotopic mass	500.33492 Da
Source	ChEBI
InChIKey	VYOXQPQXOVKJIA-NMTBNCKFSA-N

SMILES

[H][C@]1([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](O)C2[C@@]3(O)C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)C1[C@H](O)[C@H]3O

InChI

InChI=1S/C27H48O8/c1-13(12-28)6-5-7-14(2)17-20(31)22(33)23-26(17,4)11-9-16-25(3)10-8-15(29)19(30)18(25)21(32)24(34)27(16,23)35/h13-24,28-35H,5-12H2,1-4H3/t13-,14+,15-,16?,17-,18?,19-,20+,21-,22-,23?,24+,25+,26+,27-/m0/s1

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:228372	(9ξ,14ξ,25S)-cholestane-3β,4β,6β,7α,8,15α,16β,26-octol	antibioticmech:chebi-6d4a0cce99	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.