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CHEBI:211321 - Harzianin PCu 4

ChEBI IDCHEBI:211321
ChEBI NameHarzianin PCu 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H117N15O17
Net Charge0
Average Mass1416.772
Monoisotopic Mass1415.87519
SMILESCCC(C)C(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)C(C)C
InChIInChI=1S/C68H117N15O17/c1-20-39(8)50(75-52(89)45(35-85)72-56(93)47-25-22-30-82(47)61(98)66(14,15)77-53(90)42(32-36(2)3)70-51(88)41(27-28-49(69)87)73-59(96)64(10,11)76-40(9)86)58(95)80-68(18,19)63(100)83-31-23-26-48(83)57(94)79-65(12,13)60(97)74-43(33-37(4)5)54(91)78-67(16,17)62(99)81-29-21-24-46(81)55(92)71-44(34-84)38(6)7/h36-39,41-48,50,84-85H,20-35H2,1-19H3,(H2,69,87)(H,70,88)(H,71,92)(H,72,93)(H,73,96)(H,74,97)(H,75,89)(H,76,86)(H,77,90)(H,78,91)(H,79,94)(H,80,95)
InChIKeyJZKMGYBXOYOMDP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies (ncbitaxon:1715253) - PubMed (9544939)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Harzianin PCu 4 (CHEBI:211321) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[(2-acetamido-2-methylpropanoyl)amino]-N-[1-[[1-[2-[[3-hydroxy-1-[[1-[[1-[2-[[1-[[1-[[1-[2-[(1-hydroxy-3-methylbutan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide
Manual XrefsDatabases
78444148ChemSpider