Trichovirin II 3b (CHEBI:213750)

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CHEBI:213750 - Trichovirin II 3b

ChEBI ID	CHEBI:213750
ChEBI Name	Trichovirin II 3b
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C80H140N20O21
Net Charge	0
Average Mass	1718.119
Monoisotopic Mass	1717.05019
SMILES	CCC(C)(NC(=O)C(CC(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)(CC)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C
InChI	InChI=1S/C80H140N20O21/c1-27-79(25,95-61(111)51(38-44(7)8)87-57(107)45(9)85-55(105)39-83-63(113)72(11,12)91-46(10)102)69(119)90-49(32-34-54(82)104)59(109)94-80(26,28-2)70(120)99-77(21,22)68(118)96-73(13,14)64(114)84-40-56(106)92-75(17,18)66(116)98-78(23,24)71(121)100-35-29-30-52(100)62(112)88-50(37-43(5)6)60(110)93-76(19,20)67(117)97-74(15,16)65(115)89-48(31-33-53(81)103)58(108)86-47(41-101)36-42(3)4/h42-45,47-52,101H,27-41H2,1-26H3,(H2,81,103)(H2,82,104)(H,83,113)(H,84,114)(H,85,105)(H,86,108)(H,87,107)(H,88,112)(H,89,115)(H,90,119)(H,91,102)(H,92,106)(H,93,110)(H,94,109)(H,95,111)(H,96,118)(H,97,117)(H,98,116)(H,99,120)
InChIKey	QPSKNIUNCSZDMH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma (ncbitaxon:5543)	-	PubMed (10507683)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Trichovirin II 3b (CHEBI:213750) 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]acetyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-4-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]acetyl]amino]propanoylamino]-4-methylpentanoyl]amino]-2-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide

Manual Xrefs	Databases
78444856	ChemSpider