Trichokindin-IIa (CHEBI:217812)

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CHEBI:217812 - Trichokindin-IIa

ChEBI ID	CHEBI:217812
ChEBI Name	Trichokindin-IIa
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C81H142N20O22
Net Charge	0
Average Mass	1748.145
Monoisotopic Mass	1747.06076
SMILES	CCC(C)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(C)NC(=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)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(C)=O
InChI	InChI=1S/C81H142N20O22/c1-28-43(7)51(39-102)87-58(109)47(32-34-54(82)105)88-67(118)76(17,18)99-70(121)79(23,24)96-61(112)49(37-41(3)4)86-63(114)53-31-30-36-101(53)72(123)80(25,26)100-71(122)81(27,29-2)97-57(108)45(9)85-64(115)74(13,14)95-62(113)50(38-42(5)6)90-66(117)75(15,16)94-60(111)48(33-35-55(83)106)89-68(119)77(19,20)98-69(120)78(21,22)93-56(107)44(8)84-59(110)52(40-103)91-65(116)73(11,12)92-46(10)104/h41-45,47-53,102-103H,28-40H2,1-27H3,(H2,82,105)(H2,83,106)(H,84,110)(H,85,115)(H,86,114)(H,87,109)(H,88,118)(H,89,119)(H,90,117)(H,91,116)(H,92,104)(H,93,107)(H,94,111)(H,95,113)(H,96,112)(H,97,108)(H,98,120)(H,99,121)(H,100,122)
InChIKey	JUDDZAOORQAMCR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma harzianum (ncbitaxon:5544)	-	PubMed (8069958)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Trichokindin-IIa (CHEBI:217812) is a polypeptide (CHEBI:15841)

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

IUPAC Name

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

Manual Xrefs	Databases
78444190	ChemSpider