pachyaximine A

CHEBI:228289 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A steroid alkaloid that is pregn-5-ene substituted by a methoxy group at position 3β, a methyl group at position 20S, and a dimethylamino group at position 21. — 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:26767 CHEBI:26767
CHEBI:35726 CHEBI:35726
CHEBI:50996 CHEBI:50996

Chemical structure

Computed structure properties
Molecular formula	C24H41NO
Charge	0
Average mass	359.598 Da
Monoisotopic mass	359.31881 Da
Source	ChEBI
InChIKey	ZTNBSFMIFOLVCM-MCTVSQGJSA-N

SMILES

[H][C@@]12CC=C3C[C@@H](OC)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)N(C)C

InChI

InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1

Also called

(20S)-3β-methoxy-N,N-dimethylpregn-5-en-20-amine (EXACT_SYNONYM)— chebi
(−)-pachyaximine A (EXACT_SYNONYM)— chebi
alkaloid-C (EXACT_SYNONYM)— chebi
pachyaximine-A (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:128255-08-3
knapsack:C00028789

Activity roles

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

CHEBI:33282 CHEBI:33282

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:228289`	pachyaximine A	`antibioticmech:chebi-f099141933`	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.