Efrapeptin J (CHEBI:212319)

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CHEBI:212319 - Efrapeptin J

ChEBI ID	CHEBI:212319
ChEBI Name	Efrapeptin J
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C81H139N18O16
Net Charge	+1
Average Mass	1621.113
Monoisotopic Mass	1620.06110
SMILES	CC(=O)N1CCCCC1C(=O)NC(C)(C)C(=O)N1CCCCC1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NCCC(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCCC1C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)CN1CCC[N+]2=C1CCC2
InChI	InChI=1S/C81H138N18O16/c1-48(2)43-53(47-96-39-30-38-95-37-29-34-61(95)96)85-69(110)76(11,12)89-64(105)55(45-50(5)6)86-62(103)51(7)84-68(109)75(9,10)90-66(107)57-32-25-28-42-99(57)74(115)81(21,22)94-71(112)78(15,16)88-60(102)46-83-59(101)35-36-82-63(104)54(44-49(3)4)87-70(111)77(13,14)93-72(113)79(17,18)91-67(108)58-33-24-27-41-98(58)73(114)80(19,20)92-65(106)56-31-23-26-40-97(56)52(8)100/h48-51,53-58H,23-47H2,1-22H3,(H12-,82,83,84,85,86,87,88,89,90,91,92,93,94,101,102,103,104,105,106,107,108,109,110,111,112,113)/p+1
InChIKey	FPZWWNKQAQRXAV-UHFFFAOYSA-O

Species of Metabolite	Component	Source	Comments
Tolypocladiumspecies (ncbitaxon:1856741)	-	PubMed (18667784)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Efrapeptin J (CHEBI:212319) is a peptide (CHEBI:16670)

IUPAC Name
1-acetyl-N-[1-[2-[[1-[[1-[[1-[[3-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[1-[[1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]piperidine-2-carboxamide

IUPAC Name

1-acetyl-N-[1-[2-[[1-[[1-[[1-[[3-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[1-[[1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]piperidine-2-carboxamide

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