Trichorzin MA-3 (CHEBI:210730)

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CHEBI:210730 - Trichorzin MA-3

ChEBI ID	CHEBI:210730
ChEBI Name	Trichorzin MA-3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C82H144N20O22
Net Charge	0
Average Mass	1762.172
Monoisotopic Mass	1761.07641
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(CC(C)C)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)C(C)C
InChI	InChI=1S/C82H144N20O22/c1-27-81(25,99-62(112)49(32-34-57(84)107)91-73(123)82(26,28-2)101-71(121)79(21,22)95-59(109)46(11)86-61(111)54(41-104)93-68(118)76(15,16)94-47(12)105)72(122)92-52(38-44(7)8)65(115)96-75(13,14)67(117)85-39-58(108)87-50(36-42(3)4)63(113)98-80(23,24)74(124)102-35-29-30-55(102)66(116)88-51(37-43(5)6)64(114)97-78(19,20)70(120)100-77(17,18)69(119)90-48(31-33-56(83)106)60(110)89-53(40-103)45(9)10/h42-46,48-55,103-104H,27-41H2,1-26H3,(H2,83,106)(H2,84,107)(H,85,117)(H,86,111)(H,87,108)(H,88,116)(H,89,110)(H,90,119)(H,91,123)(H,92,122)(H,93,118)(H,94,105)(H,95,109)(H,96,115)(H,97,114)(H,98,113)(H,99,112)(H,100,120)(H,101,121)
InChIKey	IKFGNFXOHKKGBR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma harzianum (ncbitaxon:5544)	-	PubMed (8557564)

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 MA-3 (CHEBI:210730) 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]-4-methylpentanoyl]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-methylbutan-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]-4-methylpentanoyl]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-methylbutan-2-yl)pentanediamide

Manual Xrefs	Databases
78444400	ChemSpider