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CHEBI:203304 - Hypomurocin A-4

ChEBI IDCHEBI:203304
ChEBI NameHypomurocin A-4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H102N12O13
Net Charge0
Average Mass1175.525
Monoisotopic Mass1174.76893
SMILESCCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)CC(C)C)C(C)C
InChIInChI=1S/C58H102N12O13/c1-18-35(10)45(65-46(74)38(23-24-43(59)73)63-53(81)56(12,13)66-36(11)72)51(79)64-44(34(8)9)52(80)68-58(16,17)55(83)70-26-20-22-42(70)50(78)62-39(28-32(4)5)47(75)61-40(29-33(6)7)48(76)67-57(14,15)54(82)69-25-19-21-41(69)49(77)60-37(30-71)27-31(2)3/h31-35,37-42,44-45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,77)(H,61,75)(H,62,78)(H,63,81)(H,64,79)(H,65,74)(H,66,72)(H,67,76)(H,68,80)
InChIKeyVGEXTJDYJHYSDB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
[Hypocrea muroiana (ncbitaxon:78397) - DOI (10.1002/jlac.199719970421)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hypomurocin A-4 (CHEBI:203304) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[(2-acetamido-2-methylpropanoyl)amino]-N-[1-[[1-[[1-[2-[[1-[[1-[[1-[2-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide
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