acetylblasticidin S

CHEBI:2413 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A member of the class of blasticidins that is blasticidin S in which the side-chain amino group is acetylated. — 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:22905 CHEBI:22905
CHEBI:24436 CHEBI:24436
CHEBI:27856 CHEBI:27856
CHEBI:38104 CHEBI:38104

Chemical structure

Computed structure properties
Molecular formula	C19H28N8O6
Charge	0
Average mass	464.483 Da
Monoisotopic mass	464.21318 Da
Source	ChEBI
InChIKey	KKMQGSAQSNGBOY-RKLWJJNISA-N

SMILES

CC(=O)N[C@@H](CCN(C)C(=N)N)CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O

InChI

InChI=1S/C19H28N8O6/c1-10(28)23-11(5-7-26(2)18(21)22)9-14(29)24-12-3-4-15(33-16(12)17(30)31)27-8-6-13(20)25-19(27)32/h3-4,6,8,11-12,15-16H,5,7,9H2,1-2H3,(H3,21,22)(H,23,28)(H,24,29)(H,30,31)(H2,20,25,32)/t11-,12-,15+,16-/m0/s1

Also called

1-(4-{[(3S)-3-acetamido-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranuronosyl)-4-aminopyrimidin-2(1H)-one (EXACT_SYNONYM)— chebi
Acetylblasticidin S (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

kegg.compound:C02808
reaxys:8522748

Activity roles

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

CHEBI:25605 CHEBI:25605

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:2413`	acetylblasticidin S	`antibioticmech:chebi-35d7a045a5`	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.