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CHEBI:59673 - colistin B

ChEBI IDCHEBI:59673
ChEBI Namecolistin B
Stars
DefinitionA polymyxin having a 6-methylheptanoyl group at the amino terminus.
Last Modified29 June 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC52H98N16O13
Net Charge0
Average Mass1155.455
Monoisotopic Mass1154.74993
SMILESCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)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
InChIInChI=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
InChIKeyKNIWPHSUTGNZST-SSWRVQTPSA-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).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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)
colistin B (CHEBI:59673) is a peptide antibiotic (CHEBI:25903)
colistin B (CHEBI:59673) is a polymyxin (CHEBI:59062)
Incoming Relation(s)
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 E2ChEBI
Registry NumbersSources
Beilstein:8185577Beilstein
CAS:7239-48-7ChemIDplus
Citations