CHEBI:71950 - tyrocidine D

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ChEBI Name tyrocidine D
ChEBI ID CHEBI:71950
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C72H90N16O12
Net Charge 0
Average Mass 1371.58500
Monoisotopic Mass 1370.69241
InChI InChI=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
InChIKey MSPVTUIBMQIOJP-ZFQMPNKVSA-N
SMILES [H][C@@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@]2([H])CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC1=O)C(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via peptide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Last Modified
28 January 2013