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CHEBI:207083 - Polymyxin Nva-E1

ChEBI IDCHEBI:207083
ChEBI NamePolymyxin Nva-E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H96N16O13
Net Charge0
Average Mass1141.428
Monoisotopic Mass1140.73428
SMILESCCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O
InChIInChI=1S/C51H96N16O13/c1-8-28(5)12-10-11-13-39(70)58-32(14-20-52)47(76)67-41(30(7)69)51(80)64-35(17-23-55)44(73)63-37-19-25-57-50(79)40(29(6)68)66-48(77)36(18-24-56)62-43(72)33(15-21-53)60-42(71)31(9-2)59-49(78)38(26-27(3)4)65-45(74)34(16-22-54)61-46(37)75/h27-38,40-41,68-69H,8-26,52-56H2,1-7H3,(H,57,79)(H,58,70)(H,59,78)(H,60,71)(H,61,75)(H,62,72)(H,63,73)(H,64,80)(H,65,74)(H,66,77)(H,67,76)
InChIKeyOVODYYFQBMUPHB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (11560379)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Polymyxin Nva-E1 (CHEBI:207083) is a polypeptide (CHEBI:15841)
IUPAC Name 
N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-12-ethyl-3-(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Manual XrefsDatabases
78444374ChemSpider