Trichocellin-A-III (CHEBI:199111)

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CHEBI:199111 - Trichocellin-A-III

ChEBI ID	CHEBI:199111
ChEBI Name	Trichocellin-A-III
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C89H147N23O24
Net Charge	0
Average Mass	1923.292
Monoisotopic Mass	1922.09893
SMILES	CCC(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)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1)C(C)C
InChI	InChI=1S/C89H147N23O24/c1-27-46(4)62(102-77(133)85(17,18)107-68(124)55(37-40-59(92)117)98-63(119)47(5)94-74(130)83(13,14)105-65(121)49(7)96-75(131)84(15,16)106-64(120)48(6)95-73(129)82(11,12)103-50(8)114)71(127)109-81(9,10)72(128)93-43-60(118)104-87(21,22)78(134)111-89(25,26)80(136)112-41-31-34-56(112)69(125)101-61(45(2)3)70(126)108-88(23,24)79(135)110-86(19,20)76(132)100-54(36-39-58(91)116)67(123)99-53(35-38-57(90)115)66(122)97-52(44-113)42-51-32-29-28-30-33-51/h28-30,32-33,45-49,52-56,61-62,113H,27,31,34-44H2,1-26H3,(H2,90,115)(H2,91,116)(H2,92,117)(H,93,128)(H,94,130)(H,95,129)(H,96,131)(H,97,122)(H,98,119)(H,99,123)(H,100,132)(H,101,125)(H,102,133)(H,103,114)(H,104,118)(H,105,121)(H,106,120)(H,107,124)(H,108,126)(H,109,127)(H,110,135)(H,111,134)
InChIKey	MCGQQMPEIPQXHC-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-A-III (CHEBI:199111) 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]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-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]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

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