malacidin B

CHEBI:140174 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A homodetic cyclic peptide that is malacidin A in which the (2E,4Z)-8-methylnona-2,4-dienoyl group has been replaced by a (2E,4Z)-8-methyldeca-2,4-dienoyl group. — 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:46895 CHEBI:46895

Chemical structure

Computed structure properties
Molecular formula	C57H90N12O20
Charge	0
Average mass	1263.411 Da
Monoisotopic mass	1262.63943 Da
Source	ChEBI
InChIKey	SMTCDPMWINUUKC-AVBBYWJWSA-N

SMILES

CCC(C)CC/C=C\C=C\C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](C(C)C(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](C)C[C@H]2C(=O)NC1C)C(C)C(=O)O

InChI

InChI=1S/C57H90N12O20/c1-11-28(6)18-14-12-13-15-20-36(70)63-41(30(8)55(84)85)51(80)67-43-32(10)60-48(77)35-22-29(7)25-69(35)54(83)40(27(4)5)66-50(79)42(31(9)56(86)87)64-37(71)24-59-46(75)34(23-38(72)73)62-53(82)44(45(74)57(88)89)68-47(76)33(19-16-17-21-58)61-49(78)39(26(2)3)65-52(43)81/h12-13,15,20,26-35,39-45,74H,11,14,16-19,21-25,58H2,1-10H3,(H,59,75)(H,60,77)(H,61,78)(H,62,82)(H,63,70)(H,64,71)(H,65,81)(H,66,79)(H,67,80)(H,68,76)(H,72,73)(H,84,85)(H,86,87)(H,88,89)/b13-12-,20-15+/t28?,29-,30?,31?,32?,33+,34+,35+,39-,40+,41+,42-,43+,44+,45?/m1/s1

Also called

N-[(2S)-3-amino-2-({3-methyl-N-[(2E,4Z)-8-methyldeca-2,4-dienoyl]-L-α-aspartyl}amino)butanoyl]-D-valyl-L-lysyl-3-hydroxy-L-α-aspartyl-L-α-aspartylglycyl-3-methyl-D-α-aspartyl-L-valyl-(4R)-4-methyl-L-proline (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

wikipedia.en:Malacidin

Activity roles

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

CHEBI:140190 CHEBI:140190
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:140174`	malacidin B	`antibioticmech:chebi-5bb13c4bd6`	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.