Molecule

Klebsazolicin

AlkaPlorer ID: AK327091

Synonym: None

IUPAC Name: 2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[[2-[(1S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[2-[(1S)-1-[[(2S)-1,3-dihydroxy-2-[[hydroxy-[2-[(1S)-2-hydroxy-1-[[(2S)-1-hydroxy-2-[[hydroxy-[2-[(1S)-3-hydroxy-1-[[1-hydroxy-2-[[hydroxy-[1-[(2S)-3-hydroxy-2-[[(2S,5S)-6-hydroxy-2-(3-hydroxy-3-iminopropyl)-5-(hydroxymethyl)-2,5-dihydropyrazin-3-yl]amino]propanoyl]pyrrolidin-2-yl]methylidene]amino]ethylidene]amino]-3-iminopropyl]-1,3-thiazol-4-yl]methylidene]amino]propylidene]amino]ethyl]-1,3-thiazol-4-yl]methylidene]amino]propylidene]amino]-3-hydroxy-3-iminopropyl]-1,3-oxazol-4-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-3-hydroxy-3-iminopropyl]-1,3-thiazol-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]acetic acid

Structure

SMILES: CC(C)C[C@H](N=C(O)CN=C(O)CN=C(O)[C@@H](N=C(O)C1=CSC([C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CO)N=C(O)[C@H](C)N=C(O)C2=COC([C@H](CC(=N)O)N=C(O)[C@H](CO)N=C(O)C3=CSC([C@H](CO)N=C(O)[C@H](C)N=C(O)C4=CSC([C@H](CC(=N)O)N=C(O)CN=C(O)C5CCCN5C(=O)[C@H](CO)NC5=N[C@@H](CO)C(O)=N[C@H]5CCC(=N)O)=N4)=N3)=N2)=N1)[C@@H](C)O)C(O)=NCC(=O)O

InChI: InChI=1S/C76H107N27O30S3/c1-29(2)12-35(62(122)84-19-56(117)118)88-54(115)17-81-53(114)16-83-71(131)57(33(6)109)102-69(129)47-28-135-74(100-47)38(15-52(80)113)94-59(119)30(3)85-63(123)40(21-105)95-60(120)31(4)86-66(126)44-25-133-72(98-44)36(13-50(78)111)93-65(125)41(22-106)96-68(128)46-27-136-75(101-46)42(23-107)97-61(121)32(5)87-67(127)45-26-134-73(99-45)37(14-51(79)112)89-55(116)18-82-70(130)48-8-7-11-103(48)76(132)43(24-108)91-58-34(9-10-49(77)110)92-64(124)39(20-104)90-58/h25-43,48,57,104-109H,7-24H2,1-6H3,(H2,77,110)(H2,78,111)(H2,79,112)(H2,80,113)(H,81,114)(H,82,130)(H,83,131)(H,84,122)(H,85,123)(H,86,126)(H,87,127)(H,88,115)(H,89,116)(H,90,91)(H,92,124)(H,93,125)(H,94,119)(H,95,120)(H,96,128)(H,97,121)(H,102,129)(H,117,118)/t30-,31-,32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,48?,57-/m0/s1

InChIKey: RSVIJELKMXTPMI-CKSXXEILSA-N

Reference

Klebsazolicin inhibits 70S ribosome by obstructing the peptide exit tunnel

PubChem CID: 146684557

LOTUS: LTS0183995

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NPAtlas: NPA028413

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Klebsiella pneumoniae	Klebsiella	Enterobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 1975.0520000000013

TPSA？: 965.8400000000004

MolLogP？: 3.3084799999999976

Number of H-Donors: 32

Number of H-Acceptors: 38

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi