CHEBI:59673 - colistin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name colistin B
ChEBI ID CHEBI:59673
Definition A polymyxin having a 6-methylheptanoyl group at the amino terminus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C52H98N16O13
Net Charge 0
Average Mass 1155.43390
Monoisotopic Mass 1154.74993
InChI InChI=1S/C52H98N16O13/c1-27(2)11-9-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-28(3)4)66-50(79)39(26-29(5)6)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1
InChIKey KNIWPHSUTGNZST-SSWRVQTPSA-N
SMILES CC(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): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via polymyxin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via polymyxin )
(via peptide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing colistin B (CHEBI:59673) is a peptide antibiotic (CHEBI:25903)
colistin B (CHEBI:59673) is a polymyxin (CHEBI:59062)
Incoming colistimethate B (CHEBI:59671) has functional parent colistin B (CHEBI:59673)
colistin B sodium methanesulfonate (CHEBI:59664) has functional parent colistin B (CHEBI:59673)
colistin (CHEBI:37943) has part colistin B (CHEBI:59673)
IUPAC Name
4,10-anhydro[N-(6-methylheptanoyl)-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]
Synonym Source
polymyxin E2 ChEBI
Registry Numbers Types Sources
7239-48-7 CAS Registry Number ChemIDplus
8185577 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
16931410 PubMed citation Europe PMC
18625681 PubMed citation Europe PMC
Last Modified
29 June 2010