Trichocellin-A-V (CHEBI:208717)

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CHEBI:208717 - Trichocellin-A-V

ChEBI ID	CHEBI:208717
ChEBI Name	Trichocellin-A-V
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C91H151N23O24
Net Charge	0
Average Mass	1951.346
Monoisotopic Mass	1950.13023
SMILES	CC(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1)C(C)C
InChI	InChI=1S/C91H151N23O24/c1-46(2)41-58(72(127)111-91(25,26)83(138)114-40-30-33-60(114)74(129)105-65(48(5)6)75(130)112-90(23,24)82(137)113-89(21,22)81(136)103-56(35-38-62(93)118)70(125)102-55(34-37-61(92)117)69(124)99-54(45-115)43-53-31-28-27-29-32-53)100-64(120)44-95-76(131)84(11,12)110-73(128)59(42-47(3)4)104-80(135)88(19,20)109-71(126)57(36-39-63(94)119)101-66(121)49(7)96-78(133)86(15,16)107-68(123)51(9)98-79(134)87(17,18)108-67(122)50(8)97-77(132)85(13,14)106-52(10)116/h27-29,31-32,46-51,54-60,65,115H,30,33-45H2,1-26H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,131)(H,96,133)(H,97,132)(H,98,134)(H,99,124)(H,100,120)(H,101,121)(H,102,125)(H,103,136)(H,104,135)(H,105,129)(H,106,116)(H,107,123)(H,108,122)(H,109,126)(H,110,128)(H,111,127)(H,112,130)(H,113,137)
InChIKey	VKCNWZALTUIQHE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma viride (ncbitaxon:5547)	-	DOI (10.1016/s0040-4039(00)76838-9)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Trichocellin-A-V (CHEBI:208717) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-N-[1-[[1-[[1-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

IUPAC Name

2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-N-[1-[[1-[[1-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

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