4-O-methylrhodomycin D

CHEBI:77179 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

An anthracycline that is aklavinone having a 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl residue and a methyl group attached as positions 4 and 7 respectively. — 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:35315 CHEBI:35315
CHEBI:35618 CHEBI:35618
CHEBI:47779 CHEBI:47779
CHEBI:49322 CHEBI:49322
CHEBI:51285 CHEBI:51285
CHEBI:63367 CHEBI:63367

Chemical structure

Computed structure properties
Molecular formula	C29H33NO11
Charge	0
Average mass	571.579 Da
Monoisotopic mass	571.20536 Da
Source	ChEBI
InChIKey	KPBSBYSJFXROOJ-FUXNZPHBSA-N

SMILES

CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(OC)c1C3=O

InChI

InChI=1S/C29H33NO11/c1-5-29(37)10-15(41-16-9-13(30)23(31)11(2)40-16)18-19(22(29)28(36)39-4)27(35)20-21(26(18)34)25(33)17-12(24(20)32)7-6-8-14(17)38-3/h6-8,11,13,15-16,22-23,31,34-35,37H,5,9-10,30H2,1-4H3/t11-,13-,15-,16-,22-,23+,29+/m0/s1

Also called

methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate (EXACT_SYNONYM)— chebi
4-O-methylrhodomycinone D (EXACT_SYNONYM)— chebi
7-O-daunosaminyl-4-O-methyl-ε-rhodomycinone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

metacyc.compound:CPD-15783
reaxys:6949593

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:77179`	4-O-methylrhodomycin D	`antibioticmech:chebi-7f98005dcf`	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.