Trikoningin-KA-V (CHEBI:199117)

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CHEBI:199117 - Trikoningin-KA-V

ChEBI ID	CHEBI:199117
ChEBI Name	Trikoningin-KA-V
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C87H152N22O24
Net Charge	0
Average Mass	1890.303
Monoisotopic Mass	1889.13498
SMILES	CCC(C)C(NC(=O)C(C)(C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(C)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C)C(C)CC)C(C)C
InChI	InChI=1S/C87H152N22O24/c1-27-46(9)62(71(124)95-52(32-35-58(89)114)66(119)94-51(31-34-57(88)113)65(118)93-50(41-110)38-43(3)4)101-77(130)83(17,18)106-73(126)61(45(7)8)99-70(123)56-30-29-37-109(56)80(133)87(25,26)105-69(122)54(39-44(5)6)97-67(120)55(42-111)98-75(128)84(19,20)107-79(132)86(23,24)108-78(131)85(21,22)104-68(121)53(33-36-59(90)115)96-72(125)63(47(10)28-2)100-76(129)82(15,16)103-64(117)48(11)92-60(116)40-91-74(127)81(13,14)102-49(12)112/h43-48,50-56,61-63,110-111H,27-42H2,1-26H3,(H2,88,113)(H2,89,114)(H2,90,115)(H,91,127)(H,92,116)(H,93,118)(H,94,119)(H,95,124)(H,96,125)(H,97,120)(H,98,128)(H,99,123)(H,100,129)(H,101,130)(H,102,112)(H,103,117)(H,104,121)(H,105,122)(H,106,126)(H,107,132)(H,108,131)
InChIKey	ULADORNVGXTXBP-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma harzianum (ncbitaxon:5544)	-	DOI (10.1039/p19930000249)

Roles Classification

Chemical Role:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Trikoningin-KA-V (CHEBI:199117) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]propanoylamino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide

IUPAC Name

2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]propanoylamino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide

Manual Xrefs	Databases
78444954	ChemSpider