EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210952 - Cervinin

ChEBI IDCHEBI:210952
ChEBI NameCervinin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102N12O13
Net Charge0
Average Mass1187.536
Monoisotopic Mass1186.76893
SMILESCC(=O)NC(CC(C)C)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(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CO)CC(C)C)C(C)C
InChIInChI=1S/C59H102N12O13/c1-32(2)28-38(31-72)62-51(80)44(35(7)8)64-49(78)42-23-20-26-70(42)53(82)57(13,14)65-45(74)36(9)60-48(77)41-22-19-25-69(41)54(83)58(15,16)67-47(76)40(30-34(5)6)63-52(81)56(11,12)68-50(79)43-24-21-27-71(43)55(84)59(17,18)66-46(75)39(29-33(3)4)61-37(10)73/h32-36,38-44,72H,19-31H2,1-18H3,(H,60,77)(H,61,73)(H,62,80)(H,63,81)(H,64,78)(H,65,74)(H,66,75)(H,67,76)(H,68,79)
InChIKeyUDYHMBXAJRPIAR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypomyces cervinigenus (ncbitaxon:100997) - PubMed (15043434)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cervinin (CHEBI:210952) is a peptide (CHEBI:16670)
IUPAC Name 
1-[2-[[2-[[2-[[1-[2-[(2-acetamido-4-methylpentanoyl)amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]-N-[1-[[1-[2-[[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
78444279ChemSpider