Trichorzin PA V (CHEBI:213714)

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CHEBI:213714 - Trichorzin PA V

ChEBI ID	CHEBI:213714
ChEBI Name	Trichorzin PA V
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C87H143N21O22
Net Charge	0
Average Mass	1835.226
Monoisotopic Mass	1834.07166
SMILES	CCC(C)(NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(CC)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)Cc1cnc2ccccc12)C(C)C
InChI	InChI=1S/C87H143N21O22/c1-25-86(23,107-78(129)87(24,26-2)105-64(115)48(9)92-66(117)58(44-110)98-73(124)81(13,14)100-49(10)111)77(128)97-55(34-36-61(89)113)67(118)101-82(15,16)75(126)99-63(47(7)8)71(122)104-80(11,12)72(123)91-42-62(114)94-56(38-45(3)4)68(119)103-85(21,22)79(130)108-37-29-32-59(108)70(121)95-57(39-46(5)6)69(120)102-84(19,20)76(127)106-83(17,18)74(125)96-54(33-35-60(88)112)65(116)93-51(43-109)40-50-41-90-53-31-28-27-30-52(50)53/h27-28,30-31,41,45-48,51,54-59,63,90,109-110H,25-26,29,32-40,42-44H2,1-24H3,(H2,88,112)(H2,89,113)(H,91,123)(H,92,117)(H,93,116)(H,94,114)(H,95,121)(H,96,125)(H,97,128)(H,98,124)(H,99,126)(H,100,111)(H,101,118)(H,102,120)(H,103,119)(H,104,122)(H,105,115)(H,106,127)(H,107,129)
InChIKey	YFOYNNCDKRBTEQ-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 V (CHEBI:213714) 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-methylbutanoyl]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-3-(1H-indol-3-yl)propan-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-methylbutanoyl]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-3-(1H-indol-3-yl)propan-2-yl]pentanediamide

Manual Xrefs	Databases
78444295	ChemSpider