Trichorzin HA-2 (CHEBI:213923)

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CHEBI:213923 - Trichorzin HA-2

ChEBI ID	CHEBI:213923
ChEBI Name	Trichorzin HA-2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C78H138N20O20
Net Charge	0
Average Mass	1676.082
Monoisotopic Mass	1675.03963
SMILES	CCC(C)(NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)N)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C
InChI	InChI=1S/C78H138N20O20/c1-26-78(25,69(117)89-46(29-31-51(79)100)57(105)85-45(39-99)34-40(2)3)97-68(116)76(21,22)93-60(108)49(36-42(6)7)87-61(109)50-28-27-33-98(50)70(118)77(23,24)94-59(107)48(35-41(4)5)86-54(103)38-83-64(112)72(13,14)95-62(110)55(43(8)9)90-66(114)73(15,16)92-58(106)47(30-32-52(80)101)88-65(113)74(17,18)96-67(115)75(19,20)91-56(104)44(10)84-53(102)37-82-63(111)71(11,12)81/h40-50,55,99H,26-39,81H2,1-25H3,(H2,79,100)(H2,80,101)(H,82,111)(H,83,112)(H,84,102)(H,85,105)(H,86,103)(H,87,109)(H,88,113)(H,89,117)(H,90,114)(H,91,104)(H,92,106)(H,93,108)(H,94,107)(H,95,110)(H,96,115)(H,97,116)
InChIKey	WSCGDGDNDXBBAI-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-2 (CHEBI:213923) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]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-methylbutanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide

IUPAC Name

2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]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-methylbutanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide

Manual Xrefs	Databases
78444167	ChemSpider