Atroviridin B (CHEBI:205368)

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CHEBI:205368 - Atroviridin B

ChEBI ID	CHEBI:205368
ChEBI Name	Atroviridin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C93H153N23O24
Net Charge	0
Average Mass	1977.384
Monoisotopic Mass	1976.14588
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)C1CCCN1C(=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)NC(CO)Cc1ccccc1
InChI	InChI=1S/C93H153N23O24/c1-26-93(25,83(138)104-57(37-40-63(95)120)71(126)103-56(36-39-62(94)119)70(125)100-55(47-117)45-54-32-28-27-29-33-54)114-82(137)90(19,20)113-76(131)66(49(4)5)105-74(129)60-34-30-42-115(60)85(140)92(23,24)110-73(128)59(44-48(2)3)101-65(122)46-97-78(133)86(11,12)112-77(132)67(50(6)7)106-81(136)89(17,18)109-72(127)58(38-41-64(96)121)102-68(123)51(8)98-79(134)87(13,14)108-69(124)52(9)99-80(135)88(15,16)111-75(130)61-35-31-43-116(61)84(139)91(21,22)107-53(10)118/h27-29,32-33,48-52,55-61,66-67,117H,26,30-31,34-47H2,1-25H3,(H2,94,119)(H2,95,120)(H2,96,121)(H,97,133)(H,98,134)(H,99,135)(H,100,125)(H,101,122)(H,102,123)(H,103,126)(H,104,138)(H,105,129)(H,106,136)(H,107,118)(H,108,124)(H,109,127)(H,110,128)(H,111,130)(H,112,132)(H,113,131)(H,114,137)
InChIKey	IPZQBZAEWOVJOO-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma atroviride (ncbitaxon:63577)	-	DOI (10.1016/s0040-4039(99)02000-6)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Atroviridin B (CHEBI:205368) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[[2-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-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-oxobutan-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]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

IUPAC Name

2-[2-[[2-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-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-oxobutan-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]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

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