Trichokonin-Ia (CHEBI:224799)

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CHEBI:224799 - Trichokonin-Ia

ChEBI ID	CHEBI:224799
ChEBI Name	Trichokonin-Ia
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C89H147N23O24
Net Charge	0
Average Mass	1923.292
Monoisotopic Mass	1922.09893
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(C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(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
InChI	InChI=1S/C89H147N23O24/c1-44(2)40-57(70(124)94-50(10)75(129)112-39-29-32-58(112)72(126)103-63(45(3)4)73(127)110-89(24,25)82(136)111-88(22,23)80(134)102-55(34-37-60(91)116)69(123)101-54(33-36-59(90)115)68(122)98-53(43-113)41-52-30-27-26-28-31-52)99-62(118)42-93-76(130)83(12,13)109-74(128)64(46(5)6)104-81(135)87(20,21)108-71(125)56(35-38-61(92)117)100-65(119)47(7)95-78(132)85(16,17)106-67(121)49(9)97-79(133)86(18,19)107-66(120)48(8)96-77(131)84(14,15)105-51(11)114/h26-28,30-31,44-50,53-58,63-64,113H,29,32-43H2,1-25H3,(H2,90,115)(H2,91,116)(H2,92,117)(H,93,130)(H,94,124)(H,95,132)(H,96,131)(H,97,133)(H,98,122)(H,99,118)(H,100,119)(H,101,123)(H,102,134)(H,103,126)(H,104,135)(H,105,114)(H,106,121)(H,107,120)(H,108,125)(H,109,128)(H,110,127)(H,111,136)
InChIKey	WPBRLKDZISCSTH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
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-Ia (CHEBI:224799) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-N-[1-[[1-[[1-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

IUPAC Name

2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-N-[1-[[1-[[1-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

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78444351	ChemSpider