trichostatin B

CHEBI:39148 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·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:33892
trichostatin CHEBI:39146

Chemical structure

Computed structure properties
Molecular formula	C51H63FeN6O9
Charge	0
Average mass	959.943 Da
Monoisotopic mass	959.40059 Da
Source	ChEBI
InChIKey	WTWHYHPOGZUENL-KZKGWZQBSA-N

SMILES

CC(/C=C/C(=O)N[O][Fe]([O]NC(=O)/C=C/C(C)=C/[C@@H](C)C(=O)c1ccc(N(C)C)cc1)[O]NC(=O)/C=C/C(C)=C/[C@@H](C)C(=O)c1ccc(N(C)C)cc1)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1

InChI

InChI=1S/3C17H21N2O3.Fe/c3*1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4;/h3*5-11,13H,1-4H3,(H-,18,20,22);/q3*-1;+3/b3*10-5+,12-11+;/t3*13-;/m111./s1

Also called

tris[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-(hydroxy-κO)-4,6-dimethyl-7-oxohepta-2,4-dienamidato-κO]iron (EXACT_SYNONYM)— chebi

Activity roles

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

antimicrobial agent CHEBI:33281

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:39148`	trichostatin B	`antibioticmech:chebi-4f1645aa24`	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 (YAML).

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