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CHEBI:222584 - Sansanmycin Q

ChEBI IDCHEBI:222584
ChEBI NameSansanmycin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H52N10O12S
Net Charge0
Average Mass921.003
Monoisotopic Mass920.34869
SMILESCSCCC(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(Cc1cccc(O)c1)NC(=O)CN
InChIInChI=1S/C42H52N10O12S/c1-22(51(2)38(59)30(46-34(56)19-43)16-23-7-6-8-25(53)15-23)35(37(58)45-21-26-18-32(54)39(64-26)52-13-11-33(55)49-42(52)63)50-36(57)29(12-14-65-3)47-41(62)48-31(40(60)61)17-24-20-44-28-10-5-4-9-27(24)28/h4-11,13,15,20-22,29-32,35,39,44,53-54H,12,14,16-19,43H2,1-3H3,(H,45,58)(H,46,56)(H,50,57)(H,60,61)(H2,47,48,62)(H,49,55,63)/b26-21-
InChIKeyCNQKAEWVZWVTDG-QLYXXIJNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31341273)
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 Q (CHEBI:222584) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[1-[[3-[[2-[(2-aminoacetyl)amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[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