EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215116 - Sansanmycin I

ChEBI IDCHEBI:215116
ChEBI NameSansanmycin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H49N9O11
Net Charge0
Average Mass879.928
Monoisotopic Mass879.35515
SMILESC[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O)C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)nc2=O)O1)N(C)C(=O)[C@@H](N)Cc1cccc(O)c1
InChIInChI=1S/C44H49N9O11/c1-24(52(2)40(59)31(45)18-26-11-8-12-28(54)17-26)37(39(58)47-23-29-21-35(55)41(64-29)53-16-15-36(56)50-44(53)63)51-38(57)33(19-25-9-4-3-5-10-25)48-43(62)49-34(42(60)61)20-27-22-46-32-14-7-6-13-30(27)32/h3-17,22-24,31,33-35,37,41,46,54-55H,18-21,45H2,1-2H3,(H,47,58)(H,51,57)(H,60,61)(H2,48,49,62)(H,50,56,63)/b29-23-/t24-,31-,33-,34-,35+,37-,41+/m0/s1
InChIKeyZNZNMFXEMFQCEI-MEQDLJNYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SS (ncbitaxon:260742) - PubMed (24964393)
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 I (CHEBI:215116) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
58134347ChemSpider