The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

bacitracin

Synonyms

(4R)-4-[(2S)-2-{[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(1S,2S)-1-{[(3S,6R,9S,12R,15S,18R,21S)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-3-(carbamoylmethyl)-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid

C66H103N17O16S

ID

http://purl.obolibrary.org/obo/dinto_DB00626

AHFScode

08:12.28.08

84:04.04

ATCCode

D06AX05

R02AB04

J01XX10

blocks

http://purl.obolibrary.org/obo/dinto_2958

CASRN

1405-87-4

DBBrand

baciim

bacitracin bacillus licheniformis

baciguent

Definition

Bacitracin is a mixture of related cyclic polypeptides produced by organisms of the licheniformis group of Bacillus subtilis var Tracy. Its unique name derives from the fact that the bacillus producing it was first isolated in 1943 from a knee scrape from a girl named Margaret Tracy. As a toxic and difficult-to-use antibiotic, bacitracin doesn t work well orally. However, it is very effective topically. Bacitracin is synthesised via the so-called nonribosomal peptide synthetases (NRPSs), which means that ribosomes are not involved in its synthesis.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_0279

http://purl.obolibrary.org/obo/dinto_2958

InChI

InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1

InChIKey

InChIKey=CLKOFPXJLQSYAH-ABRJDSQDSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_3733

http://purl.obolibrary.org/obo/dinto_0279

label

bacitracin

prefixIRI

obo2:dinto_DB00626

prefLabel

bacitracin

SMILES

CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC

Synonym

(4R)-4-[(2S)-2-{[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(1S,2S)-1-{[(3S,6R,9S,12R,15S,18R,21S)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-3-(carbamoylmethyl)-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid

C66H103N17O16S

xref

Drugs.com:http://www.drugs.com/cdi/bacitracin-ointment.html

ChEBI:28669

Wikipedia:http://en.wikipedia.org/wiki/Bacitracin

PharmGKB:PA448531

Drugs Product Database (DPD):2237196

RxList:http://www.rxlist.com/cgi/generic3/bacit.htm

National Drug Code Directory:0009-0233-01

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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http://www.co-ode.org/ontologies/galen#Bacitracin GALEN LOOM
http://purl.bioontology.org/ontology/RCD/X79H1 RCD LOOM
http://purl.obolibrary.org/obo/UPa_UPC01667 UPA LOOM
http://purl.bioontology.org/ontology/UATC/J01XX10 ATC LOOM
http://purl.jp/bio/4/id/200906017725543588 IOBC LOOM
http://purl.bioontology.org/ontology/RXNORM/1291 RXNORM LOOM
http://purl.bioontology.org/ontology/UATC/R02AB04 ATC LOOM
http://purl.bioontology.org/ontology/UATC/D06AX05 ATC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000145879 NDFRT LOOM
http://purl.bioontology.org/ontology/MESH/D001414 MESH LOOM
http://purl.bioontology.org/ontology/NDDF/002798 NDDF LOOM
http://purl.obolibrary.org/obo/ARO_0000041 ARO LOOM
http://purl.obolibrary.org/obo/CHEBI_28669 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_28669 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_28669 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_28669 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_28669 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_28669 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_28669 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_28669 NIFSTD LOOM
http://purl.bioontology.org/ontology/LNC/LP14906-9 LOINC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.644.641.075 RH-MESH LOOM
http://d-nb.info/gnd/4143854-1 FAST-TOPICAL LOOM
http://www.drugbank.ca/drugs/DB00626 FTC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C295 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C295 NCIT LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000042858 PDQ LOOM
http://purl.bioontology.org/ontology/VANDF/4017493 VANDF LOOM
http://purl.bioontology.org/ontology/LNC/MTHU002155 LOINC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0004599 OCHV LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D001414 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/5220000 SNOMEDCT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.345.566.075 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#1659 OCHV LOOM