aclacinomycin S

CHEBI:79176 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

An anthracycline antibiotic that is produced by Streptomyces galilaeus and also exhibits antineoplastic activity. — 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:25248 CHEBI:25248
CHEBI:26188 CHEBI:26188
CHEBI:33853 CHEBI:33853
CHEBI:47779 CHEBI:47779
CHEBI:48120 CHEBI:48120
CHEBI:51286 CHEBI:51286
CHEBI:63353 CHEBI:63353

Chemical structure

Computed structure properties
Molecular formula	C36H45NO13
Charge	0
Average mass	699.75 Da
Monoisotopic mass	699.28909 Da
Source	ChEBI
InChIKey	DNZPQXXGAMXDHH-FCNQEGBTSA-N

SMILES

CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC

InChI

InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1

Also called

methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate (EXACT_SYNONYM)— chebi
Antibiotic MA 144S1 (EXACT_SYNONYM)— chebi
L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone (EXACT_SYNONYM)— chebi
MA 144 S1 (EXACT_SYNONYM)— chebi
MA144 S1 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:64431-69-2
kegg.compound:C18635
metacyc.compound:CPD-15765
reaxys:8605426

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:79176`	aclacinomycin S	`antibioticmech:chebi-0136c7d3db`	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.