defensin

antibioticmech:aro-eb42322815 ·ANTIBACTERIAL ·MINTED SEEDED

Defensins are natural cationic peptides that have antibiotic properties. It is part of the innate immune system of plants and animals. — PMID:12949495

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

peptide antibioticARO:3000053

Strictly broader compounds or drug classes this molecule belongs to.

ARO:3000053 ARO:3000053

Chemical structure

Computed structure properties
Molecular formula	C167H257N47O46
Charge	0
Average mass	3659.1 Da
Monoisotopic mass	3656.9215839 Da
Source	PubChem · retrieved 2026-08-29
InChIKey	ZKALIGRYJXFMNS-XBDDSDALSA-N

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC9=CC=CC=C9)N

InChI

InChI=1S/C167H257N47O46/c1-87(2)75-113(150(245)200-112(164(259)260)59-63-131(227)228)203-153(248)120-48-31-73-213(120)162(257)117(77-95-37-16-13-17-38-95)205-138(233)93(11)188-142(237)107(56-60-128(221)222)192-137(232)92(10)189-152(247)119(86-215)207-148(243)109(58-62-130(225)226)197-151(246)116(81-132(229)230)202-147(242)108(57-61-129(223)224)193-136(231)91(9)187-125(218)83-184-141(236)115(80-124(173)217)204-154(249)121-49-32-74-214(121)163(258)118(78-96-52-54-98(216)55-53-96)206-159(254)134(89(5)6)208-149(244)104(43-22-26-66-170)198-158(253)135(90(7)8)210-156(251)123-51-34-72-212(123)161(256)111(47-30-70-182-167(178)179)199-145(240)106(46-29-69-181-166(176)177)196-144(239)103(42-21-25-65-169)195-143(238)102(41-20-24-64-168)190-126(219)85-186-157(252)133(88(3)4)209-155(250)122-50-33-71-211(122)160(255)110(44-23-27-67-171)191-127(220)84-185-140(235)114(79-97-82-183-101-40-19-18-39-99(97)101)201-146(241)105(45-28-68-180-165(174)175)194-139(234)100(172)76-94-35-14-12-15-36-94/h12-19,35-40,52-55,82,87-93,100,102-123,133-135,183,215-216H,20-34,41-51,56-81,83-86,168-172H2,1-11H3,(H2,173,217)(H,184,236)(H,185,235)(H,186,252)(H,187,218)(H,188,237)(H,189,247)(H,190,219)(H,191,220)(H,192,232)(H,193,231)(H,194,234)(H,195,238)(H,196,239)(H,197,246)(H,198,253)(H,199,240)(H,200,245)(H,201,241)(H,202,242)(H,203,248)(H,204,249)(H,205,233)(H,206,254)(H,207,243)(H,208,244)(H,209,250)(H,210,251)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,259,260)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t91-,92-,93-,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,133-,134-,135-/m0/s1

Cross-references

Equivalent identifiers for this same structure in other resources.

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
ARO	`ARO:3000693`	defensin	`antibioticmech:aro-eb42322815`	2026-08-30

Molecular targets

The molecular entity or process this compound acts on. Each target carries evidence — this is a mechanistic claim, not a classification.

cell membrane component targeted by antibiotic MEMBRANE ATTACKED_COMPONENT

ARO:3000710

CARD/ARO database assertion; target organism, strain, and assay are not specified. ARO describes interaction with membrane phospholipids and loss of membrane integrity. Evidence status: DATABASE_ASSERTION_ONLY. Source: CARD_ARO 2026-08-30 (retrieved 2026-08-30).

ARO:3000710 (CARD/ARO asserts targeted_by_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)

Resistance mechanisms

9 known routes by which microbes resist this compound, grounded in ARO where CARD models them. Grouped by mechanism type — expand a group to see its determinants.

ANTIBIOTIC_TARGET_ALTERATION 6

ANTIBIOTIC_TARGET_ALTERATION
Determinant	ARO ID	Organism	Gene families	Evidence
Bacillus subtilis mprF	ARO:3003324	not organism-specific	—	ARO:3003324 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)
Brucella suis mprF	ARO:3003772	not organism-specific	—	ARO:3003772 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)
Clostridium perfringens mprF	ARO:3003773	not organism-specific	—	ARO:3003773 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)
Listeria monocytogenes mprF	ARO:3003770	not organism-specific	—	ARO:3003770 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)
Staphylococcus aureus mprF	ARO:3003769	not organism-specific	—	ARO:3003769 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)
Streptococcus agalactiae mprF	ARO:3003774	not organism-specific	—	ARO:3003774 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)

REDUCED_PERMEABILITY 3

REDUCED_PERMEABILITY
Determinant	ARO ID	Organism	Gene families	Evidence
LpsA	ARO:3005052	not organism-specific	—	ARO:3005052 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)
LpsB	ARO:3005051	not organism-specific	—	ARO:3005051 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)
OmpA	ARO:3005044	not organism-specific	—	ARO:3005044 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000693 (defensin); database assertion, not a primary citation.)

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (ARO)
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
RESEEDED_FROM_SOURCES 2026-08-31 · 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.