Trichocellin-B-I (CHEBI:210638)

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CHEBI:210638 - Trichocellin-B-I

ChEBI ID	CHEBI:210638
ChEBI Name	Trichocellin-B-I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C89H146N22O25
Net Charge	0
Average Mass	1924.276
Monoisotopic Mass	1923.08295
SMILES	CC(=O)NC(C)(C)C(=O)NC(C)C(=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(CC(C)C)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)(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1)C(C)C
InChI	InChI=1S/C89H146N22O25/c1-45(2)41-56(100-76(132)85(17,18)106-68(124)55(35-38-59(91)115)97-63(119)47(5)93-74(130)83(13,14)104-65(121)49(7)95-75(131)84(15,16)105-64(120)48(6)94-73(129)82(11,12)102-50(8)113)69(125)107-81(9,10)72(128)92-43-60(116)103-87(21,22)78(134)110-89(25,26)80(136)111-40-30-33-57(111)70(126)101-62(46(3)4)71(127)108-88(23,24)79(135)109-86(19,20)77(133)99-54(36-39-61(117)118)67(123)98-53(34-37-58(90)114)66(122)96-52(44-112)42-51-31-28-27-29-32-51/h27-29,31-32,45-49,52-57,62,112H,30,33-44H2,1-26H3,(H2,90,114)(H2,91,115)(H,92,128)(H,93,130)(H,94,129)(H,95,131)(H,96,122)(H,97,119)(H,98,123)(H,99,133)(H,100,132)(H,101,126)(H,102,113)(H,103,116)(H,104,121)(H,105,120)(H,106,124)(H,107,125)(H,108,127)(H,109,135)(H,110,134)(H,117,118)
InChIKey	VGUNIIYBCUFGDV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
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-I (CHEBI:210638) 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-methylpropanoyl]amino]-5-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

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-methylpropanoyl]amino]-5-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Manual Xrefs	Databases
78444398	ChemSpider