CHEBI:59064 - colistin A

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ChEBI Name colistin A
ChEBI ID CHEBI:59064
Definition A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C53H100N16O13
Net Charge 0
Average Mass 1169.46050
Monoisotopic Mass 1168.76558
InChI InChI=1S/C53H100N16O13/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77)/t30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+/m1/s1
InChIKey XDJYMJULXQKGMM-RVYUQJQSSA-N
SMILES CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
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): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via peptide antibiotic )
(via polymyxin )
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via polymyxin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing colistin A (CHEBI:59064) is a peptide antibiotic (CHEBI:25903)
colistin A (CHEBI:59064) is a polymyxin (CHEBI:59062)
Incoming colistimethate A (CHEBI:59669) has functional parent colistin A (CHEBI:59064)
colistin A sodium methanesulfonate (CHEBI:59663) has functional parent colistin A (CHEBI:59064)
colistin (CHEBI:37943) has part colistin A (CHEBI:59064)
IUPAC Name
4,10-anhydro{N-[(6R)-6-methyloctanoyl]-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine}
Synonyms Sources
Colistin A ChemIDplus
Colistin IV ChemIDplus
Polymixin E1 ChemIDplus
Polymyxin E1 ChemIDplus
Registry Numbers Types Sources
7722-44-3 CAS Registry Number ChemIDplus
8609559 Beilstein Registry Number Beilstein
8609559 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
13058849 PubMed citation Europe PMC
1650428 PubMed citation Europe PMC
16931410 PubMed citation Europe PMC
18625681 PubMed citation Europe PMC
25249467 PubMed citation Europe PMC
25609230 PubMed citation Europe PMC
25832483 PubMed citation Europe PMC
Last Modified
15 марта 2016