aminocandin

CHEBI:84073 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the family of echinocandins that shows broad-spectrum in vitro activity against Aspergillus and Candida spp. — 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:24613 CHEBI:24613
CHEBI:35618 CHEBI:35618
CHEBI:57248 CHEBI:57248

Chemical structure

Computed structure properties
Molecular formula	C56H79N9O14
Charge	0
Average mass	1102.297 Da
Monoisotopic mass	1101.57465 Da
Source	ChEBI
InChIKey	UMNFJRNUJIBDSK-NMVZEWDOSA-N

SMILES

CCCCCCCCOc1ccc(-c2ccc(C(=O)N[C@H]3CC(NCCN)CNC(=O)[C@@H]4[C@@H](O)[C@@H](C)CN4C(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)Cc4ccc(O)cc4)NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H]([C@@H](C)O)NC3=O)cc2)cc1

InChI

InChI=1S/C56H79N9O14/c1-4-5-6-7-8-9-24-79-41-20-16-36(17-21-41)35-12-14-37(15-13-35)50(72)60-42-26-38(58-23-22-57)28-59-54(76)48-49(71)32(2)29-65(48)55(77)43(31-66)61-53(75)47(45(70)25-34-10-18-39(68)19-11-34)63-52(74)44-27-40(69)30-64(44)56(78)46(33(3)67)62-51(42)73/h10-21,32-33,38,40,42-49,58,66-71H,4-9,22-31,57H2,1-3H3,(H,59,76)(H,60,72)(H,61,75)(H,62,73)(H,63,74)/t32-,33+,38?,40+,42-,43-,44-,45+,46-,47-,48-,49-/m0/s1

Also called

N-[(2R,6S,9S,14aS,15S,16S,20S,23S,25aS)-11-[(2-aminoethyl)amino]-2,15-dihydroxy-6-[(1R)-1-hydroxyethyl]-23-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-20-(hydroxymethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-4'-(octyloxy)biphenyl-4-carboxamide (EXACT_SYNONYM)— chebi
HMR3270 (EXACT_SYNONYM)— chebi
IP960 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

drugbank:DB05128
reaxys:12385979
wikipedia.en:Aminocandin

Activity roles

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

CHEBI:35718 CHEBI:35718

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:84073`	aminocandin	`antibioticmech:chebi-67ef754294`	2026-08-30

Mechanism summary

Mode of action: CELL_WALL_SYNTHESIS_INHIBITION microbial target — Assigned from ChEBI role CHEBI:230471 (EC 2.4.1.34 (1,3-β-glucan synthase) inhibitor). ChEBI asserts the role on the compound. The role names a target specific to the microbe or virus — see mode_of_action_target_scope. Not a curator's mechanistic review.

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.