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CHEBI:212315 - Sansanmycin C

ChEBI IDCHEBI:212315
ChEBI NameSansanmycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H49N9O12S
Net Charge0
Average Mass879.950
Monoisotopic Mass879.32214
SMILESCC(C(NC(=O)C(CCS(C)=O)NC(=O)NC(Cc1cnc2ccccc12)C(=O)O)C(=O)N/C=C1\CC(O)C(n2ccc(=O)nc2=O)O1)N(C)C(=O)C(N)Cc1cccc(O)c1
InChIInChI=1S/C40H49N9O12S/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(61-25)49-13-11-32(52)46-40(49)59)47-34(53)29(12-14-62(3)60)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+
InChIKeyPGJWAEOEBLIGSQ-LKUDQCMESA-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 C (CHEBI:212315) 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-methylsulinyl-1-oxobutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
78444289ChemSpider