Compound ID | 2942

Update compound information

Citrocin

Class: RNA synthesis inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against Citrobacter strains and Escherichia coli (including enterohemorrhagic strain); RNA polymerase inhibitor
Description: Natural product from Citrobacter pasteurii and Citrobacter braakii; antimicrobial lasso peptide
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1881.14
Iso. SMILES: CC[C@@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NC(C(=O)N1)CCCCCN)C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]([C@H](C)CC)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)NCC(=O)O)C(C)CC
InChI Key: CNUGGUJSKKNENX-NCROSIFOSA-N
Can. SMILES: CC[C@@H](C)[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H]4CCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NC(CCCCCN)C(=O)NC([C@H](C)CC)C(=O)N[C@@H](C(C)CC)C(=O)N4
InChI: InChI=1S/C88H133N23O23/c1-11-49(8)74(85(132)97-41-66(117)94-40-65(116)96-43-70(121)108-73(48(6)7)84(131)99-45-68(119)102-59(33-35-92-88(90)91)79(126)104-60(77(124)100-46-71(122)123)37-53-23-27-55(112)28-24-53)109-82(129)62(36-52-20-16-14-17-21-52)106-81(128)61(38-54-25-29-56(113)30-26-54)105-78(125)58-31-32-63(114)93-39-64(115)95-42-69(120)107-72(47(4)5)83(130)98-44-67(118)101-57(22-18-15-19-34-89)80(127)110-76(51(10)13-3)87(134)111-75(50(9)12-2)86(133)103-58/h14,16-17,20-21,23-30,47-51,57-62,72-76,112-113H,11-13,15,18-19,22,31-46,89H2,1-10H3,(H,93,114)(H,94,117)(H,95,115)(H,96,116)(H,97,132)(H,98,130)(H,99,131)(H,100,124)(H,101,118)(H,102,119)(H,103,133)(H,104,126)(H,105,125)(H,106,128)(H,107,120)(H,108,121)(H,109,129)(H,110,127)(H,111,134)(H,122,123)(H4,90,91,92)/t49-,50?,51-,57?,58+,59+,60+,61+,62+,72+,73+,74+,75+,76?/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/169492567
Citation: https://www.sciencedirect.com/science/article/pii/S0021925820366187?pes=vor

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