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CHEBI:75046 - phleomycin D1

ChEBI IDCHEBI:75046
ChEBI Namephleomycin D1
Stars
ASCII Namephleomycin D1
DefinitionA glycopeptide originally isolated from the bacterium Streptomyces verticillus which contains a (4'R)-4',5'-dihydro-2,4'-bi-1,3-thiazole-2',4-diyl moiety with a a 4-guanidylbutylaminocarbonyl group attached to the 4-position of the terminal thiazole ring. Like all phleomycins, phleomycin D1 can form complexes with redox-active metals such as Co, Cu, and Fe.
Last Modified23 April 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC55H86N20O21S2
Net Charge0
Average Mass1427.546
Monoisotopic Mass1426.57178
SMILES[H][C@]1(c2nc(C(=O)NCCCCNC(=N)N)cs2)CSC(CCNC(=O)[C@@]([H])(NC(=O)[C@@H](C)[C@H](O)[C@@]([H])(C)NC(=O)[C@@]([H])(NC(=O)c2nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc(N)c2C)[C@@]([H])(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)c2cncn2)[C@@H](C)O)=N1
InChIInChI=1S/C55H86N20O21S2/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61/h13,16,18,20-24,27-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,17,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)/t20-,21+,22+,23-,24-,27+,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1
InChIKeyCWCMIVBLVUHDHK-ZSNHEYEWSA-N
Wikipedia
Roles Classification
Chemical Roles:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
phleomycin D1 (CHEBI:75046) has role antibacterial agent (CHEBI:33282)
phleomycin D1 (CHEBI:75046) has role antifungal agent (CHEBI:35718)
phleomycin D1 (CHEBI:75046) has role antimicrobial agent (CHEBI:33281)
phleomycin D1 (CHEBI:75046) has role antineoplastic agent (CHEBI:35610)
phleomycin D1 (CHEBI:75046) has role bacterial metabolite (CHEBI:76969)
phleomycin D1 (CHEBI:75046) is a bi-1,3-thiazole (CHEBI:48879)
phleomycin D1 (CHEBI:75046) is a chelate-forming peptide (CHEBI:23089)
phleomycin D1 (CHEBI:75046) is a disaccharide derivative (CHEBI:63353)
phleomycin D1 (CHEBI:75046) is a glycopeptide (CHEBI:24396)
phleomycin D1 (CHEBI:75046) is a guanidines (CHEBI:24436)
Incoming Relation(s)
phleomycin (CHEBI:75044) has part phleomycin D1 (CHEBI:75046)
Manual XrefsDatabases
ZeocinWikipedia
Registry NumbersSources
Reaxys:6800323Reaxys
Citations