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CHEBI:212009 - Trichokonin-Ib

ChEBI IDCHEBI:212009
ChEBI NameTrichokonin-Ib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC89H147N23O24
Net Charge0
Average Mass1923.292
Monoisotopic Mass1922.09893
SMILESCC(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1)C(C)C)C(C)C
InChIInChI=1S/C89H147N23O24/c1-45(2)40-56(70(125)108-89(24,25)81(136)112-39-29-32-57(112)71(126)102-63(46(3)4)72(127)110-88(22,23)80(135)111-87(20,21)78(133)101-54(34-37-59(91)116)68(123)100-53(33-36-58(90)115)67(122)97-52(44-113)41-51-30-27-26-28-31-51)98-61(118)42-93-75(130)83(12,13)109-73(128)64(47(5)6)103-79(134)86(18,19)107-69(124)55(35-38-60(92)117)99-65(120)48(7)95-77(132)85(16,17)106-66(121)49(8)96-76(131)84(14,15)105-62(119)43-94-74(129)82(10,11)104-50(9)114/h26-28,30-31,45-49,52-57,63-64,113H,29,32-44H2,1-25H3,(H2,90,115)(H2,91,116)(H2,92,117)(H,93,130)(H,94,129)(H,95,132)(H,96,131)(H,97,122)(H,98,118)(H,99,120)(H,100,123)(H,101,133)(H,102,126)(H,103,134)(H,104,114)(H,105,119)(H,106,121)(H,107,124)(H,108,125)(H,109,128)(H,110,127)(H,111,135)
InChIKeyFATPXEYUKIVQRZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma koningii (ncbitaxon:97093) - PubMed (8536339)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichokonin-Ib (CHEBI:212009) is a polypeptide (CHEBI:15841)
IUPAC Name 
N-[1-[1-[1-[2-[1-[1-[2-[N-[1-[1-[1-[1-[1,5-dihydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)imino-5-iminopentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]ethylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]pentanediimidic acid
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