polymyxin B4

antibioticmech:aro-d6a7012e5e ·ANTIBACTERIAL ·MINTED SEEDED

Polymyxin B4 is in the family of polymyxin lipopeptides with a heptanoic acid acyl group. These antibiotics disrupt the cell membrane of Gram-negative bacteria. — PMID:11330807

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

nonribosomal peptide antibioticsARO:3009657

Strictly broader compounds or drug classes this molecule belongs to.

ARO:3009657 ARO:3009657

Chemical structure

Computed structure properties
Molecular formula	C54H94N16O13
Charge	0
Average mass	1175.4 Da
Monoisotopic mass	1174.71862712 Da
Source	PubChem · retrieved 2026-08-29
InChIKey	DFEINBRRTFYPQB-KOEMQTGPSA-N

SMILES

CCCCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O

InChI

InChI=1S/C54H94N16O13/c1-6-7-8-12-15-42(73)61-34(16-22-55)49(78)70-44(32(5)72)54(83)66-37(19-25-58)46(75)65-39-21-27-60-53(82)43(31(4)71)69-50(79)38(20-26-59)63-45(74)35(17-23-56)64-51(80)40(28-30(2)3)67-52(81)41(29-33-13-10-9-11-14-33)68-47(76)36(18-24-57)62-48(39)77/h9-11,13-14,30-32,34-41,43-44,71-72H,6-8,12,15-29,55-59H2,1-5H3,(H,60,82)(H,61,73)(H,62,77)(H,63,74)(H,64,80)(H,65,75)(H,66,83)(H,67,81)(H,68,76)(H,69,79)(H,70,78)/t31-,32-,34+,35+,36+,37+,38+,39+,40+,41-,43+,44+/m1/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:3000628`	polymyxin B4	`antibioticmech:aro-d6a7012e5e`	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:3000628 (polymyxin B4); database assertion, not a primary citation.)

Resistance mechanisms

3 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_EFFLUX 2

ANTIBIOTIC_EFFLUX
Determinant	ARO ID	Organism	Gene families	Evidence
Klebsiella pneumoniae KpnGH-TolC	ARO:3004598	not organism-specific	—	ARO:3004598 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000628 (polymyxin B4); database assertion, not a primary citation.)
RosAB	ARO:3004030	not organism-specific	—	ARO:3004030 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000628 (polymyxin B4); database assertion, not a primary citation.)

ANTIBIOTIC_TARGET_ALTERATION 1

ANTIBIOTIC_TARGET_ALTERATION
Determinant	ARO ID	Organism	Gene families	Evidence
lipid A phosphatase	ARO:3004287	not organism-specific	—	ARO:3004287 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3000628 (polymyxin B4); 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.