EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203056 - Microcin J25

ChEBI IDCHEBI:203056
ChEBI NameMicrocin J25
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC101H139N23O27
Net Charge0
Average Mass2107.357
Monoisotopic Mass2106.02108
SMILESCCC(C)C1NC(=O)CNC(=O)C(C(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(Cc2cncn2)NC(=O)CNC(=O)C(C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)CNC1=O
InChIInChI=1S/C101H139N23O27/c1-11-55(7)84-98(148)108-50-80(134)119-86(58(10)126)101(151)124-38-20-26-74(124)96(146)122-85(56(8)12-2)99(149)117-72(51-125)94(144)116-68(39-59-21-15-13-16-22-59)90(140)113-67(41-61-27-31-64(127)32-28-61)88(138)106-46-76(130)103-45-75(129)104-47-77(131)110-57(9)87(137)105-48-78(132)111-71(43-63-44-102-52-109-63)93(143)121-83(54(5)6)100(150)123-37-19-25-73(123)95(145)112-66(35-36-81(135)136)89(139)114-69(42-62-29-33-65(128)34-30-62)91(141)115-70(40-60-23-17-14-18-24-60)92(142)120-82(53(3)4)97(147)107-49-79(133)118-84/h13-18,21-24,27-34,44,52-58,66-74,82-86,125-128H,11-12,19-20,25-26,35-43,45-51H2,1-10H3,(H,102,109)(H,103,130)(H,104,129)(H,105,137)(H,106,138)(H,107,147)(H,108,148)(H,110,131)(H,111,132)(H,112,145)(H,113,140)(H,114,139)(H,115,141)(H,116,144)(H,117,149)(H,118,133)(H,119,134)(H,120,142)(H,121,143)(H,122,146)(H,135,136)
InChIKeyTVZWTTNULXZYTK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (10092860)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microcin J25 (CHEBI:203056) is a polypeptide (CHEBI:15841)
IUPAC Name 
3-[18,57-dibenzyl-9,63-di(butan-2-yl)-3-(1-hydroxyethyl)-60-(hydroxymethyl)-21,54-bis[(4-hydroxyphenyl)methyl]-36-(1H-imidazol-5-ylmethyl)-42-methyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65-henicosaoxo-15,33-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64-henicosazatricyclo[64.3.0.027,31]nonahexacontan-24-yl]propanoic acid
Manual XrefsDatabases
78444033ChemSpider