magainin B

antibioticmech:aro-832bfb6c2e ·ANTIBACTERIAL ·MINTED SEEDED

Magainin B is is a synthetic analog of magainin 1, an antimicrobial peptide. — PMID:2285300

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	C116H185N31O27S
Charge	0
Average mass	2478.0 Da
Monoisotopic mass	2476.3776909 Da
Source	PubChem · retrieved 2026-08-29
InChIKey	KKNMJWFWBZQVFT-FIHNEYJFSA-N

SMILES

CCC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N)NC(=O)CN

InChI

InChI=1S/C116H185N31O27S/c1-15-65(7)94(145-90(150)58-121)114(172)125-60-91(151)132-76(40-26-30-47-117)103(161)141-84(54-73-36-22-18-23-37-73)111(169)139-82(52-63(3)4)110(168)142-86(56-75-59-124-62-126-75)109(167)129-67(9)97(155)127-68(10)98(156)134-78(42-28-32-49-119)104(162)136-79(43-29-33-50-120)105(163)140-83(53-72-34-20-17-21-35-72)108(166)130-69(11)99(157)133-77(41-27-31-48-118)102(160)128-70(12)101(159)138-85(55-74-38-24-19-25-39-74)113(171)146-93(64(5)6)115(173)131-71(13)100(158)135-80(44-45-92(152)153)107(165)147-95(66(8)16-2)116(174)137-81(46-51-175-14)106(164)143-87(57-89(122)149)112(170)144-88(61-148)96(123)154/h17-25,34-39,59,62-71,76-88,93-95,148H,15-16,26-33,40-58,60-61,117-121H2,1-14H3,(H2,122,149)(H2,123,154)(H,124,126)(H,125,172)(H,127,155)(H,128,160)(H,129,167)(H,130,166)(H,131,173)(H,132,151)(H,133,157)(H,134,156)(H,135,158)(H,136,162)(H,137,174)(H,138,159)(H,139,169)(H,140,163)(H,141,161)(H,142,168)(H,143,164)(H,144,170)(H,145,150)(H,146,171)(H,147,165)(H,152,153)/t65?,66?,67-,68-,69-,70-,71-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,93-,94-,95-/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:3003568`	magainin B	`antibioticmech:aro-832bfb6c2e`	2026-08-30

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

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.