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CHEBI:199109 - Trichocellin-A-IV

ChEBI IDCHEBI:199109
ChEBI NameTrichocellin-A-IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC90H149N23O24
Net Charge0
Average Mass1937.319
Monoisotopic Mass1936.11458
SMILESCCC(C)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(CC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1)C(C)C
InChIInChI=1S/C90H149N23O24/c1-27-47(5)63(103-77(133)86(18,19)108-69(125)56(38-41-60(93)118)99-64(120)48(6)95-75(131)84(14,15)106-66(122)50(8)97-76(132)85(16,17)107-65(121)49(7)96-74(130)83(12,13)104-51(9)115)72(128)110-82(10,11)73(129)94-44-61(119)105-87(20,21)78(134)111-89(24,25)81(137)113-42-32-35-57(113)70(126)102-62(46(3)4)71(127)109-88(22,23)79(135)112-90(26,28-2)80(136)101-55(37-40-59(92)117)68(124)100-54(36-39-58(91)116)67(123)98-53(45-114)43-52-33-30-29-31-34-52/h29-31,33-34,46-50,53-57,62-63,114H,27-28,32,35-45H2,1-26H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,129)(H,95,131)(H,96,130)(H,97,132)(H,98,123)(H,99,120)(H,100,124)(H,101,136)(H,102,126)(H,103,133)(H,104,115)(H,105,119)(H,106,122)(H,107,121)(H,108,125)(H,109,127)(H,110,128)(H,111,134)(H,112,135)
InChIKeyBNVDFXZVGQBUJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma viride (ncbitaxon:5547) - DOI (10.1016/s0040-4039(00)76838-9)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichocellin-A-IV (CHEBI:199109) 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-methylbutan-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-2-methylpropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-3-methylpentan-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]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]pentanediimidic acid
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