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CHEBI:199223 - Sansanmycin

ChEBI IDCHEBI:199223
ChEBI NameSansanmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H49N9O11S
Net Charge0
Average Mass863.951
Monoisotopic Mass863.32722
SMILESCSCCC(NC(=O)NC(Cc1cnc2ccccc12)C(=O)O)C(=O)NC(C(=O)N/C=C1\C[C@@H](O)[C@H](n2ccc(=O)nc2=O)O1)C(C)N(C)C(=O)C(N)Cc1cccc(O)c1
InChIInChI=1S/C40H49N9O11S/c1-21(48(2)36(55)27(41)16-22-7-6-8-24(50)15-22)33(35(54)43-20-25-18-31(51)37(60-25)49-13-11-32(52)46-40(49)59)47-34(53)29(12-14-61-3)44-39(58)45-30(38(56)57)17-23-19-42-28-10-5-4-9-26(23)28/h4-11,13,15,19-21,27,29-31,33,37,42,50-51H,12,14,16-18,41H2,1-3H3,(H,43,54)(H,47,53)(H,56,57)(H2,44,45,58)(H,46,52,59)/b25-20+/t21?,27?,29?,30?,31-,33?,37-/m1/s1
InChIKeyJTNZPPUDLUHMKK-OXOXDDDLSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (17420567)
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 (CHEBI:199223) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[1-[[3-[[2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(E)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
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28482389ChemSpider