EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201724 - Harpin

ChEBI IDCHEBI:201724
ChEBI NameHarpin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H68N12O14S
Net Charge0
Average Mass949.099
Monoisotopic Mass948.46987
SMILESCSCCC(N)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CO)C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NC(C)C(N)=O)C(C)O
InChIInChI=1S/C38H68N12O14S/c1-17(2)10-22(33(59)42-13-28(55)44-19(5)31(41)57)45-29(56)14-43-34(60)25(15-51)49-38(64)30(20(6)53)50-36(62)24(12-27(40)54)47-35(61)23(11-18(3)4)46-37(63)26(16-52)48-32(58)21(39)8-9-65-7/h17-26,30,51-53H,8-16,39H2,1-7H3,(H2,40,54)(H2,41,57)(H,42,59)(H,43,60)(H,44,55)(H,45,56)(H,46,63)(H,47,61)(H,48,58)(H,49,64)(H,50,62)
InChIKeyRRJUKBQQCRGQRI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Erwinia amylovora (ncbitaxon:552) - PubMed (1621099)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Harpin (CHEBI:201724) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[2-[(2-amino-4-methylsulanylbutanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[1-[[2-[[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide
Manual XrefsDatabases
78444516ChemSpider