Trichorzin HA-3 (CHEBI:221023)

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CHEBI:221023 - Trichorzin HA-3

ChEBI ID	CHEBI:221023
ChEBI Name	Trichorzin HA-3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C80H140N20O21
Net Charge	0
Average Mass	1718.119
Monoisotopic Mass	1717.05019
SMILES	CCC(C)(NC(=O)C(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)(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)CC(C)C)C(C)C
InChI	InChI=1S/C80H140N20O21/c1-27-80(26,99-70(119)78(22,23)93-58(107)45(10)85-55(105)38-83-65(114)73(12,13)92-46(11)102)71(120)90-49(31-33-54(82)104)60(109)94-75(16,17)68(117)91-57(44(8)9)64(113)97-74(14,15)66(115)84-39-56(106)87-50(36-42(4)5)61(110)96-79(24,25)72(121)100-34-28-29-52(100)63(112)88-51(37-43(6)7)62(111)95-77(20,21)69(118)98-76(18,19)67(116)89-48(30-32-53(81)103)59(108)86-47(40-101)35-41(2)3/h41-45,47-52,57,101H,27-40H2,1-26H3,(H2,81,103)(H2,82,104)(H,83,114)(H,84,115)(H,85,105)(H,86,108)(H,87,106)(H,88,112)(H,89,116)(H,90,120)(H,91,117)(H,92,102)(H,93,107)(H,94,109)(H,95,111)(H,96,110)(H,97,113)(H,98,118)(H,99,119)
InChIKey	OGQHWLCGXLXZNI-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 HA-3 (CHEBI:221023) 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]-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-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]-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-4-methylpentan-2-yl)pentanediamide

Manual Xrefs	Databases
78444332	ChemSpider