Efrapeptin G (CHEBI:222651)

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CHEBI:222651 - Efrapeptin G

ChEBI ID	CHEBI:222651
ChEBI Name	Efrapeptin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C83H143N18O16
Net Charge	+1
Average Mass	1649.167
Monoisotopic Mass	1648.09240
SMILES	CC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@@H]1CCCCN1C(=O)C(C)(C)NC(=O)[C@@H]1CCCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)CN1CCC[N+]2=C1CCC2
InChI	InChI=1S/C83H142N18O16/c1-23-82(21,73(114)87-55(45-50(3)4)49-98-41-32-40-97-39-31-36-63(97)98)93-66(107)57(47-52(7)8)88-64(105)53(9)86-70(111)77(11,12)91-68(109)59-34-26-29-43-100(59)76(117)81(19,20)95-72(113)79(15,16)90-62(104)48-85-61(103)37-38-84-65(106)56(46-51(5)6)89-71(112)78(13,14)96-74(115)83(22,24-2)94-69(110)60-35-27-30-44-101(60)75(116)80(17,18)92-67(108)58-33-25-28-42-99(58)54(10)102/h50-53,55-60H,23-49H2,1-22H3,(H12-,84,85,86,87,88,89,90,91,92,93,94,95,96,103,104,105,106,107,108,109,110,111,112,113,114,115)/p+1/t53-,55-,56-,57-,58-,59-,60-,82-,83-/m0/s1
InChIKey	MYYCGBYRWZBSPN-CUYPNCLMSA-O

Species of Metabolite	Component	Source	Comments
Tolypocladium inflatum (ncbitaxon:29910)	-	DOI (10.1021/jo00034a022)

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 G (CHEBI:222651) is a peptide (CHEBI:16670)

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

IUPAC Name

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

Manual Xrefs	Databases
23106532	ChemSpider