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CHEBI:204071 - Hypomurocin A-5

ChEBI IDCHEBI:204071
ChEBI NameHypomurocin A-5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H104N12O13
Net Charge0
Average Mass1189.552
Monoisotopic Mass1188.78458
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)CC
InChIInChI=1S/C59H104N12O13/c1-18-35(9)45(65-47(75)39(24-25-44(60)74)64-54(82)57(12,13)67-37(11)73)52(80)66-46(36(10)19-2)53(81)69-59(16,17)56(84)71-27-21-23-43(71)51(79)63-40(29-33(5)6)48(76)62-41(30-34(7)8)49(77)68-58(14,15)55(83)70-26-20-22-42(70)50(78)61-38(31-72)28-32(3)4/h32-36,38-43,45-46,72H,18-31H2,1-17H3,(H2,60,74)(H,61,78)(H,62,76)(H,63,79)(H,64,82)(H,65,75)(H,66,80)(H,67,73)(H,68,77)(H,69,81)
InChIKeyMHQSSPZHKGTXRO-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-5 (CHEBI:204071) 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-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide
Manual XrefsDatabases
78444796ChemSpider