Trichorzin MA-2 (CHEBI:219088)

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CHEBI:219088 - Trichorzin MA-2

ChEBI ID	CHEBI:219088
ChEBI Name	Trichorzin MA-2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C81H142N20O22
Net Charge	0
Average Mass	1748.145
Monoisotopic Mass	1747.06076
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(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/C81H142N20O22/c1-27-81(26,100-71(121)79(22,23)94-58(108)45(10)85-60(110)53(40-103)92-67(117)75(14,15)93-46(11)104)72(122)90-48(31-33-56(83)106)61(111)95-76(16,17)68(118)91-51(37-43(6)7)64(114)96-74(12,13)66(116)84-38-57(107)86-49(35-41(2)3)62(112)98-80(24,25)73(123)101-34-28-29-54(101)65(115)87-50(36-42(4)5)63(113)97-78(20,21)70(120)99-77(18,19)69(119)89-47(30-32-55(82)105)59(109)88-52(39-102)44(8)9/h41-45,47-54,102-103H,27-40H2,1-26H3,(H2,82,105)(H2,83,106)(H,84,116)(H,85,110)(H,86,107)(H,87,115)(H,88,109)(H,89,119)(H,90,122)(H,91,118)(H,92,117)(H,93,104)(H,94,108)(H,95,111)(H,96,114)(H,97,113)(H,98,112)(H,99,120)(H,100,121)
InChIKey	LXIQHDLOYAJHFO-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-2 (CHEBI:219088) 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]-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-methylpropanoyl]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
78444199	ChemSpider