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CHEBI:226251 - Acremopeptin

ChEBI IDCHEBI:226251
ChEBI NameAcremopeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H121N16O14
Net Charge+1
Average Mass1410.836
Monoisotopic Mass1409.92427
SMILESCCC(C)(NC(=O)C1CCCN1C(C)=O)C(=O)NC(C)(CC)C(=O)NCCC(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(CC)C(=O)NC(CC(C)C)CN1CCC[N+]2=C1CCC2
InChIInChI=1S/C70H120N16O14/c1-22-67(18,82-60(99)69(20,24-3)76-51(90)46-30-26-38-85(46)44(7)87)57(96)71-34-33-48(88)72-41-49(89)74-62(8,9)53(92)77-65(14,15)56(95)81-70(21,25-4)59(98)80-64(12,13)54(93)78-63(10,11)55(94)79-66(16,17)61(100)86-39-27-31-47(86)52(91)75-68(19,23-2)58(97)73-45(40-43(5)6)42-84-37-29-36-83-35-28-32-50(83)84/h43,45-47H,22-42H2,1-21H3,(H11-,71,72,73,74,75,76,77,78,79,80,81,82,88,89,90,91,92,93,94,95,96,97,98,99)/p+1
InChIKeyNDXPPLCPMJEQJG-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (28196979)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acremopeptin (CHEBI:226251) is a peptide (CHEBI:16670)
IUPAC Name 
1-acetyl-N-[1-[[1-[[3-[[2-[[1-[[1-[[1-[[1-[[1-[[1-[2-[[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-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
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