A47934

CHEBI:29505 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A cyclic peptide antibiotic produced by a strain of Streptomyces toyocaensis. — 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

glycopeptide antibioticARO:3000081

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:24533 CHEBI:24533
CHEBI:25903 CHEBI:25903
CHEBI:26195 CHEBI:26195
CHEBI:36683 CHEBI:36683
CHEBI:37407 CHEBI:37407
CHEBI:37919 CHEBI:37919
ARO:3000081 ARO:3000081

Chemical structure

Computed structure properties
Molecular formula	C58H44Cl3N7O21S
Charge	0
Average mass	1313.444 Da
Monoisotopic mass	1311.13766 Da
Source	ChEBI
InChIKey	HRGFAEUWEMDRRZ-RIZHWKQXSA-N

SMILES

N[C@H]1C(=O)N[C@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2OS(=O)(=O)O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O

InChI

InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43+,44-,45+,46+,47+,48-,49+/m0/s1

Also called

(1S,2R,19S,22R,34S,37R,40R,52R)-22-amino-5,15,43-trichloro-2,31,44,47,49,64-hexahydroxy-21,35,38,54,56,59-hexaoxo-26-(sulfooxy)-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylic acid (EXACT_SYNONYM)— chebi
A-47934 Antibiotic (EXACT_SYNONYM)— chebi
Antibiotic A 47934 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

ARO:3000117
cas:90039-80-8
kegg.compound:C12016
knapsack:C00017818
metacyc.compound:CPD-15750
patent:EP0100605
patent:US4462942
patent:US4537879
patent:US4659660
patent:US4880735
pubchem.compound:16131155

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
ARO	`ARO:3000117`	antibiotic A47934	`antibioticmech:aro-79c57ed89a`	2026-08-30
CHEBI	`CHEBI:29505`	A47934	`antibioticmech:chebi-8c700de2ae`	2026-08-30

Molecular targets

The molecular entity or process this compound acts on. Each target carries evidence — this is a mechanistic claim, not a classification.

acyl-D-alanyl-D-alanine CELL_WALL_COMPONENT ATTACKED_COMPONENT

ARO:3000720

CARD/ARO database assertion; target organism, strain, and assay are not specified. The D-Ala-D-Ala chemical group is bound as a cell-wall precursor component. Evidence status: DATABASE_ASSERTION_ONLY. Source: CARD_ARO 2026-08-30 (retrieved 2026-08-30).

ARO:3000720 (CARD/ARO asserts targeted_by_antibiotic ARO:3000117 (antibiotic A47934); database assertion, not a primary citation.)

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (ARO, 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 2026-08-31 · 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.