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CHEBI:71950 - tyrocidine D

Default Structure
ChEBI IDCHEBI:71950
ChEBI Nametyrocidine D
Stars
DefinitionA homodetic cyclic decapeptide consisting of D-Phe, L-Pro, L-Trp, D-Trp, L-Asn, L-Gln, L-Trp, L-Val, L-Orn, and L-Leu residues coupled in sequence and cyclised head-to-tail.
Last Modified28 January 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC72H90N16O12
Net Charge0
Average Mass1371.612
Monoisotopic Mass1370.69241
SMILES[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@]([H])(Cc1cnc3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1cnc3ccccc13)NC(=O)[C@H](Cc1cnc3ccccc13)NC2=O
InChIInChI=1S/C72H90N16O12/c1-39(2)30-53-65(93)86-58(31-41-16-6-5-7-17-41)72(100)88-29-15-25-59(88)70(98)85-55(33-43-37-77-49-22-12-9-19-46(43)49)67(95)83-54(32-42-36-76-48-21-11-8-18-45(42)48)66(94)84-57(35-61(75)90)68(96)79-52(26-27-60(74)89)64(92)82-56(34-44-38-78-50-23-13-10-20-47(44)50)69(97)87-62(40(3)4)71(99)80-51(24-14-28-73)63(91)81-53/h5-13,16-23,36-40,51-59,62,76-78H,14-15,24-35,73H2,1-4H3,(H2,74,89)(H2,75,90)(H,79,96)(H,80,99)(H,81,91)(H,82,92)(H,83,95)(H,84,94)(H,85,98)(H,86,93)(H,87,97)/t51-,52-,53-,54+,55-,56-,57-,58+,59-,62-/m0/s1
InChIKeyMSPVTUIBMQIOJP-ZFQMPNKVSA-N
Roles Classification
Chemical Roles:
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
ChEBI Ontology
Outgoing Relation(s)
tyrocidine D (CHEBI:71950) has role antibacterial agent (CHEBI:33282)
tyrocidine D (CHEBI:71950) has role metabolite (CHEBI:25212)
tyrocidine D (CHEBI:71950) is a homodetic cyclic peptide (CHEBI:24613)
tyrocidine D (CHEBI:71950) is a macrocycle (CHEBI:51026)
tyrocidine D (CHEBI:71950) is a peptide antibiotic (CHEBI:25903)
Incoming Relation(s)
tyrocidine (CHEBI:71947) has part tyrocidine D (CHEBI:71950)
IUPAC Name 
cyclo(L-asparaginyl-L-glutaminyl-L-tryptophyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-tryptophyl-D-tryptophyl)
Synonym  Source
cyclo-(D-Phe-Pro-Trp-D-Trp-Asn-Gln-Trp-Val-Orn-Leu)ChEBI