agrocin 84

CHEBI:82809 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A nucleotide conjugate that is produced by Agrobacterium radiobacter strain K-84. A 'Trojan horse' antibiotic used to control crown gall. — 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:27577 CHEBI:27577
CHEBI:47784 CHEBI:47784
CHEBI:63367 CHEBI:63367

Chemical structure

Computed structure properties
Molecular formula	C22H36N6O17P2
Charge	0
Average mass	718.503 Da
Monoisotopic mass	718.16122 Da
Source	ChEBI
InChIKey	YNCRAYSPLQSJIP-JHNPATRKSA-N

SMILES

[H][C@@]1([C@H](O)CO)OC(OP(=O)(O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)NC(=O)[C@@H](O)[C@H](O)C(C)C)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI

InChI=1S/C22H36N6O17P2/c1-7(2)11(31)14(34)20(37)27-46(38,39)42-4-9-12(32)15(35)21(43-9)28-6-25-10-18(23-5-24-19(10)28)26-47(40,41)45-22-16(36)13(33)17(44-22)8(30)3-29/h5-9,11-17,21-22,29-36H,3-4H2,1-2H3,(H2,27,37,38,39)(H2,23,24,26,40,41)/t8-,9-,11-,12-,13-,14+,15-,16-,17+,21-,22?/m1/s1

Also called

Agrocin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:59111-78-3
hmdb:HMDB0030532
knapsack:C00018184

Activity roles

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

CHEBI:33281 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:82809`	agrocin 84	`antibioticmech:chebi-64c2c445fa`	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.