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CHEBI:204032 - Trichocellin-B-II

ChEBI IDCHEBI:204032
ChEBI NameTrichocellin-B-II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC90H148N22O25
Net Charge0
Average Mass1938.303
Monoisotopic Mass1937.09860
SMILESCCC(C)(NC(=O)C(C)(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(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(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C90H148N22O25/c1-27-90(26,80(136)100-55(37-40-62(118)119)68(124)99-54(35-38-59(91)115)67(123)97-53(45-113)43-52-32-29-28-30-33-52)111-79(135)88(22,23)109-72(128)63(47(4)5)102-71(127)58-34-31-41-112(58)81(137)89(24,25)110-78(134)87(20,21)104-61(117)44-93-73(129)82(10,11)108-70(126)57(42-46(2)3)101-77(133)86(18,19)107-69(125)56(36-39-60(92)116)98-64(120)48(6)94-75(131)84(14,15)105-66(122)50(8)96-76(132)85(16,17)106-65(121)49(7)95-74(130)83(12,13)103-51(9)114/h28-30,32-33,46-50,53-58,63,113H,27,31,34-45H2,1-26H3,(H2,91,115)(H2,92,116)(H,93,129)(H,94,131)(H,95,130)(H,96,132)(H,97,123)(H,98,120)(H,99,124)(H,100,136)(H,101,133)(H,102,127)(H,103,114)(H,104,117)(H,105,122)(H,106,121)(H,107,125)(H,108,126)(H,109,128)(H,110,134)(H,111,135)(H,118,119)
InChIKeyVYVVURSBDADAMA-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-B-II (CHEBI:204032) is a polypeptide (CHEBI:15841)
IUPAC Name 
4-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-5-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
78444066ChemSpider