EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224972 - Sansanmycin B

ChEBI IDCHEBI:224972
ChEBI NameSansanmycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H51N9O11
Net Charge0
Average Mass845.911
Monoisotopic Mass845.37080
SMILESCC(C)CC(NC(=O)NC(Cc1cnc2ccccc12)C(=O)O)C(=O)NC(C(=O)N/C=C1\CC(O)C(n2ccc(=O)nc2=O)O1)C(C)N(C)C(=O)C(N)Cc1cccc(O)c1
InChIInChI=1S/C41H51N9O11/c1-21(2)14-30(45-40(59)46-31(39(57)58)17-24-19-43-29-11-6-5-10-27(24)29)35(54)48-34(22(3)49(4)37(56)28(42)16-23-8-7-9-25(51)15-23)36(55)44-20-26-18-32(52)38(61-26)50-13-12-33(53)47-41(50)60/h5-13,15,19-22,28,30-32,34,38,43,51-52H,14,16-18,42H2,1-4H3,(H,44,55)(H,48,54)(H,57,58)(H2,45,46,59)(H,47,53,60)/b26-20+
InChIKeyTXQDCWDFTWKUJJ-LHLOQNFPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (18503203)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sansanmycin B (CHEBI:224972) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[1-[[3-[[2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
28285293ChemSpider