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CHEBI:217264 - Hypomurocin A-3

ChEBI IDCHEBI:217264
ChEBI NameHypomurocin A-3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H102N12O13
Net Charge0
Average Mass1175.525
Monoisotopic Mass1174.76893
SMILESCCC(C)C(NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C58H102N12O13/c1-18-35(10)45(52(80)68-58(16,17)55(83)69-25-19-21-41(69)49(77)60-37(30-71)27-31(2)3)65-47(75)39(28-32(4)5)61-50(78)42-22-20-26-70(42)54(82)57(14,15)67-48(76)40(29-33(6)7)62-51(79)44(34(8)9)64-46(74)38(23-24-43(59)73)63-53(81)56(12,13)66-36(11)72/h31-35,37-42,44-45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,77)(H,61,78)(H,62,79)(H,63,81)(H,64,74)(H,65,75)(H,66,72)(H,67,76)(H,68,80)
InChIKeyVXUCZCMMELBLNF-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-3 (CHEBI:217264) 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]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanediamide
Manual XrefsDatabases
78444894ChemSpider