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CHEBI:212443 - Polymyxin-P1

ChEBI IDCHEBI:212443
ChEBI NamePolymyxin-P1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H94N16O14
Net Charge0
Average Mass1191.444
Monoisotopic Mass1190.71354
SMILESCC[C@H](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(C(C)O)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O
InChIInChI=1S/C54H94N16O14/c1-6-29(2)12-10-11-15-41(74)61-34(16-22-55)49(79)69-43(31(4)72)53(83)66-37(19-25-58)46(76)64-39-21-27-60-52(82)42(30(3)71)68-50(80)38(20-26-59)63-45(75)36(18-24-57)65-54(84)44(32(5)73)70-51(81)40(28-33-13-8-7-9-14-33)67-47(77)35(17-23-56)62-48(39)78/h7-9,13-14,29-32,34-40,42-44,71-73H,6,10-12,15-28,55-59H2,1-5H3,(H,60,82)(H,61,74)(H,62,78)(H,63,75)(H,64,76)(H,65,84)(H,66,83)(H,67,77)(H,68,80)(H,69,79)(H,70,81)/t29-,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?/m0/s1
InChIKeyYKYJELXCEPRFPA-ZIEZDPLUSA-N
Species of MetaboliteComponentSourceComments
Paenibacillus polymyxa (ncbitaxon:1406) - PubMed (4391193)
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-P1 (CHEBI:212443) is a polypeptide (CHEBI:15841)
IUPAC Name 
(6S)-N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(1-hydroxyethyl)-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
78445175ChemSpider