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CHEBI:206779 - Sansanmycin O

ChEBI IDCHEBI:206779
ChEBI NameSansanmycin O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H49N9O11S
Net Charge0
Average Mass875.962
Monoisotopic Mass875.32722
SMILESCSCC[C@H](NC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O)C(=O)N[C@H](C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)nc2=O)O1)[C@H](C)N(C)C(=O)[C@@H]1Cc2cccc(O)c2CN1
InChIInChI=1S/C41H49N9O11S/c1-21(49(2)37(56)29-15-22-7-6-10-31(51)26(22)20-43-29)34(36(55)44-19-24-17-32(52)38(61-24)50-13-11-33(53)47-41(50)60)48-35(54)28(12-14-62-3)45-40(59)46-30(39(57)58)16-23-18-42-27-9-5-4-8-25(23)27/h4-11,13,18-19,21,28-30,32,34,38,42-43,51-52H,12,14-17,20H2,1-3H3,(H,44,55)(H,48,54)(H,57,58)(H2,45,46,59)(H,47,53,60)/b24-19-/t21-,28-,29-,30-,32+,34-,38+/m0/s1
InChIKeyOZXJFQKLEJFTBX-AAENJXTMSA-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 O (CHEBI:206779) 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]-4-methylsulanyl-1-oxobutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
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