EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204646 - Sansanmycin M

ChEBI IDCHEBI:204646
ChEBI NameSansanmycin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H49N9O11
Net Charge0
Average Mass891.939
Monoisotopic Mass891.35515
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]1Cc2cccc(O)c2CN1
InChIInChI=1S/C45H49N9O11/c1-24(53(2)41(60)33-18-26-11-8-14-35(55)30(26)23-47-33)38(40(59)48-22-28-20-36(56)42(65-28)54-16-15-37(57)51-45(54)64)52-39(58)32(17-25-9-4-3-5-10-25)49-44(63)50-34(43(61)62)19-27-21-46-31-13-7-6-12-29(27)31/h3-16,21-22,24,32-34,36,38,42,46-47,55-56H,17-20,23H2,1-2H3,(H,48,59)(H,52,58)(H,61,62)(H2,49,50,63)(H,51,57,64)/b28-22-/t24-,32-,33-,34-,36+,38-,42+/m0/s1
InChIKeyXOMFHWAXLKANEU-BZXCDBCKSA-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 M (CHEBI:204646) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[[(3S)-8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-methylamino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
78437174ChemSpider