Trichorzin PA VI (CHEBI:202120)

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CHEBI:202120 - Trichorzin PA VI

ChEBI ID	CHEBI:202120
ChEBI Name	Trichorzin PA VI
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C84H140N20O22
Net Charge	0
Average Mass	1782.162
Monoisotopic Mass	1781.04511
SMILES	CCC(C)(NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(C)=O)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)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)Cc1ccccc1)C(C)C
InChI	InChI=1S/C84H140N20O22/c1-25-84(24,103-74(124)82(20,21)97-61(111)47(8)88-63(113)55(43-106)94-70(120)78(12,13)96-48(9)107)75(125)93-52(34-36-58(86)109)64(114)98-79(14,15)72(122)95-60(46(6)7)68(118)101-77(10,11)69(119)87-41-59(110)90-53(38-44(2)3)65(115)100-83(22,23)76(126)104-37-29-32-56(104)67(117)91-54(39-45(4)5)66(116)99-81(18,19)73(123)102-80(16,17)71(121)92-51(33-35-57(85)108)62(112)89-50(42-105)40-49-30-27-26-28-31-49/h26-28,30-31,44-47,50-56,60,105-106H,25,29,32-43H2,1-24H3,(H2,85,108)(H2,86,109)(H,87,119)(H,88,113)(H,89,112)(H,90,110)(H,91,117)(H,92,121)(H,93,125)(H,94,120)(H,95,122)(H,96,107)(H,97,111)(H,98,114)(H,99,116)(H,100,115)(H,101,118)(H,102,123)(H,103,124)
InChIKey	DQTKEFFEXANHRF-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma harzianum (ncbitaxon:5544)	-	PubMed (9544938)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Trichorzin PA VI (CHEBI:202120) 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-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-3-phenylpropan-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-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediamide

Manual Xrefs	Databases
78444002	ChemSpider