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CHEBI:75046 - phleomycin D1

Default Structure
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:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of 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