Trichorzianine A IIIC (CHEBI:219430)

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CHEBI:219430 - Trichorzianine A IIIC

ChEBI ID	CHEBI:219430
ChEBI Name	Trichorzianine A IIIC
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C91H149N23O24
Net Charge	0
Average Mass	1949.330
Monoisotopic Mass	1948.11458
SMILES	CCC(C)C(N=C(O)C(C)(C)N=C(O)C(N=C(O)C1CCCN1C(=O)C(C)(C)N=C(O)C(CC(C)C)N=C(O)C(CO)N=C(O)C(C)(C)N=C(O)C(C)(C)N=C(O)C(C)(C)N=C(O)C(CCC(=N)O)N=C(O)C(C)(C)N=C(O)C(C)(C)N=C(O)C(C)N=C(O)C(C)N=C(O)C(C)(C)N=C(C)O)C(C)C)C(O)=NC(CCC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NC(CO)Cc1cnc2ccccc12
InChI	InChI=1S/C91H149N23O24/c1-26-47(6)65(74(129)100-56(34-37-62(93)119)69(124)99-55(33-36-61(92)118)68(123)98-52(43-115)41-51-42-95-54-31-28-27-30-53(51)54)105-79(134)85(12,13)110-75(130)64(46(4)5)104-73(128)60-32-29-39-114(60)83(138)91(24,25)109-72(127)58(40-45(2)3)101-70(125)59(44-116)103-78(133)87(16,17)112-82(137)90(22,23)113-81(136)89(20,21)108-71(126)57(35-38-63(94)120)102-77(132)86(14,15)111-80(135)88(18,19)107-67(122)49(8)96-66(121)48(7)97-76(131)84(10,11)106-50(9)117/h27-28,30-31,42,45-49,52,55-60,64-65,95,115-116H,26,29,32-41,43-44H2,1-25H3,(H2,92,118)(H2,93,119)(H2,94,120)(H,96,121)(H,97,131)(H,98,123)(H,99,124)(H,100,129)(H,101,125)(H,102,132)(H,103,133)(H,104,128)(H,105,134)(H,106,117)(H,107,122)(H,108,126)(H,109,127)(H,110,130)(H,111,135)(H,112,137)(H,113,136)
InChIKey	YQCZBYHEPONFMB-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma harzianum (ncbitaxon:5544)	-	DOI (10.1021/ja00307a028)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Trichorzianine A IIIC (CHEBI:219430) 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-acetamido-2-methylpropanoyl)amino]propanoylamino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pentanediamide

IUPAC Name

2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pentanediamide

Manual Xrefs	Databases
17289046	ChemSpider