Trichobrachin-IB (CHEBI:199667)

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CHEBI:199667 - Trichobrachin-IB

ChEBI ID	CHEBI:199667
ChEBI Name	Trichobrachin-IB
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C82H140N22O24
Net Charge	0
Average Mass	1818.152
Monoisotopic Mass	1817.04108
SMILES	CCC(C)(NC(=O)C(C)(C)NC(=O)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)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O
InChI	InChI=1S/C82H140N22O24/c1-27-82(26,73(127)93-46(30-33-51(83)106)60(113)92-48(66(119)120)32-35-53(85)108)103-72(126)80(22,23)102-64(117)55(40(4)5)94-63(116)50-29-28-36-104(50)74(128)81(24,25)100-62(115)49(37-39(2)3)90-54(109)38-86-67(121)75(12,13)101-65(118)56(41(6)7)95-71(125)79(20,21)99-61(114)47(31-34-52(84)107)91-57(110)42(8)87-69(123)77(16,17)97-59(112)44(10)89-70(124)78(18,19)98-58(111)43(9)88-68(122)76(14,15)96-45(11)105/h39-44,46-50,55-56H,27-38H2,1-26H3,(H2,83,106)(H2,84,107)(H2,85,108)(H,86,121)(H,87,123)(H,88,122)(H,89,124)(H,90,109)(H,91,110)(H,92,113)(H,93,127)(H,94,116)(H,95,125)(H,96,105)(H,97,112)(H,98,111)(H,99,114)(H,100,115)(H,101,118)(H,102,117)(H,103,126)(H,119,120)
InChIKey	HERGFUOOBTVURT-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma longibrachiatum (ncbitaxon:5548)	-	PubMed (16541408)

Roles Classification

Chemical Role:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Trichobrachin-IB (CHEBI:199667) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-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]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoic acid

IUPAC Name

2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-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]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoic acid

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