Trichorzin PA VIII (CHEBI:200806)

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CHEBI:200806 - Trichorzin PA VIII

ChEBI ID	CHEBI:200806
ChEBI Name	Trichorzin PA VIII
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C85H142N20O22
Net Charge	0
Average Mass	1796.189
Monoisotopic Mass	1795.06076
SMILES	CCC(C)(NC(=O)C(CCC(N)=O)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(C)=O)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/C85H142N20O22/c1-25-84(23,102-65(115)53(35-37-59(87)110)94-75(125)85(24,26-2)104-74(124)82(19,20)98-62(112)48(9)89-64(114)56(44-107)95-71(121)79(13,14)97-49(10)108)76(126)96-61(47(7)8)69(119)101-78(11,12)70(120)88-42-60(111)91-54(39-45(3)4)66(116)100-83(21,22)77(127)105-38-30-33-57(105)68(118)92-55(40-46(5)6)67(117)99-81(17,18)73(123)103-80(15,16)72(122)93-52(34-36-58(86)109)63(113)90-51(43-106)41-50-31-28-27-29-32-50/h27-29,31-32,45-48,51-57,61,106-107H,25-26,30,33-44H2,1-24H3,(H2,86,109)(H2,87,110)(H,88,120)(H,89,114)(H,90,113)(H,91,111)(H,92,118)(H,93,122)(H,94,125)(H,95,121)(H,96,126)(H,97,108)(H,98,112)(H,99,117)(H,100,116)(H,101,119)(H,102,115)(H,103,123)(H,104,124)
InChIKey	OKMMIUCBGGJRQG-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 VIII (CHEBI:200806) 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-methylbutanoyl]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-methylbutanoyl]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
78443962	ChemSpider