Trichorzin PAu 4 (CHEBI:204958)

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CHEBI:204958 - Trichorzin PAu 4

ChEBI ID	CHEBI:204958
ChEBI Name	Trichorzin PAu 4
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C83H138N20O23
Net Charge	0
Average Mass	1784.134
Monoisotopic Mass	1783.02437
SMILES	CC(=O)NC(C)(C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)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)Cc1ccc(O)cc1)C(C)C
InChI	InChI=1S/C83H138N20O23/c1-42(2)36-52(64(115)99-83(23,24)75(126)103-35-25-26-55(103)66(117)90-53(37-43(3)4)65(116)98-82(21,22)74(125)102-79(15,16)70(121)91-50(31-33-56(84)108)61(112)88-48(40-104)38-47-27-29-49(107)30-28-47)89-58(110)39-86-68(119)76(9,10)100-67(118)59(44(5)6)94-72(123)78(13,14)97-63(114)51(32-34-57(85)109)92-71(122)80(17,18)101-73(124)81(19,20)96-60(111)45(7)87-62(113)54(41-105)93-69(120)77(11,12)95-46(8)106/h27-30,42-45,48,50-55,59,104-105,107H,25-26,31-41H2,1-24H3,(H2,84,108)(H2,85,109)(H,86,119)(H,87,113)(H,88,112)(H,89,110)(H,90,117)(H,91,121)(H,92,122)(H,93,120)(H,94,123)(H,95,106)(H,96,111)(H,97,114)(H,98,116)(H,99,115)(H,100,118)(H,101,124)(H,102,125)
InChIKey	MMHGWPWSPHZCQC-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichodermaspecies (ncbitaxon:1715253)	-	PubMed (9544939)

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 PAu 4 (CHEBI:204958) 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-methylpropanoyl]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-(4-hydroxyphenyl)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-methylpropanoyl]amino]-2-methylpropanoyl]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-(4-hydroxyphenyl)propan-2-yl]pentanediamide

Manual Xrefs	Databases
78444092	ChemSpider