CHEBI:59063 - polymyxin B2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name polymyxin B2
ChEBI ID CHEBI:59063
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 C55H96N16O13
Net Charge 0
Average Mass 1189.45010
Monoisotopic Mass 1188.73428
InChI InChI=1S/C55H96N16O13/c1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78/h7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79)/t32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1
InChIKey SGPYLFWAQBAXCZ-RUDZPDEXSA-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](Cc2ccccc2)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing polymyxin B2 (CHEBI:59063) is a polymyxin (CHEBI:59062)
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-phenylalanyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine]
Manual Xrefs Databases
C11612 KEGG COMPOUND
D08401 KEGG DRUG
LMPK14000008 LIPID MAPS
View more database links
Registry Numbers Types Sources
1404-26-8 CAS Registry Number KEGG COMPOUND
8185631 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
13058849 PubMed citation Europe PMC
Last Modified
13 January 2014