(+)-aplasmomycin

CHEBI:32617 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

Aplasmomycin was isolated from a broth cultivated with a marine isolate of actinomycete, and inhibits Gram-positive bacteria in vitro and Plasmodium berghei in vivo. It is a natural ionophore. — PMID:30089869

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

macrolide antibioticARO:0000000

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:25105 CHEBI:25105
CHEBI:33619 CHEBI:33619
ARO:0000000 ARO:0000000

Chemical structure

Computed structure properties
Molecular formula	C40H60BO14.Na
Charge	0
Average mass	798.708 Da
Monoisotopic mass	798.39738 Da
Source	ChEBI
InChIKey	GEIYDRPAWIMINR-ZDKANEFWSA-N

SMILES

[H][C@@]12O[B-]34O[C@]15O[C@@]([H])(CC[C@H]5C)C(C)(C)[C@H](O)C/C=C/[C@]1([H])C[C@]([H])(OC(=O)[C@]([H])(O3)[C@]3(O4)O[C@@]([H])(CC[C@H]3C)C(C)(C)[C@H](O)C/C=C/[C@]3([H])C[C@]([H])(OC2=O)[C@@H](C)O3)[C@@H](C)O1.[Na+]

InChI

InChI=1S/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1/b11-9+,12-10+;/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39+,40+,41?;/m1./s1

Also called

sodium [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-12,29-dihydroxy-1,2,18,19-tetra(hydroxy-κO)-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4−)]borate(1−) (EXACT_SYNONYM)— chebi
aplasmomycin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

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:3007792`	aplasmomycin	`antibioticmech:aro-18a4d6bb5d`	2026-08-30
CHEBI	`CHEBI:32617`	(+)-aplasmomycin	`antibioticmech:chebi-1632d412e6`	2026-08-30

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

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.