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CHEBI:201870 - Sansanmycin H

ChEBI IDCHEBI:201870
ChEBI NameSansanmycin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H48N8O12S
Net Charge0
Average Mass840.913
Monoisotopic Mass840.31124
SMILESCSCC[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)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](N)Cc1cccc(O)c1
InChIInChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-22-5-4-6-24(48)15-22)31(33(52)40-19-25-18-29(49)35(58-25)46-13-11-30(50)43-38(46)57)44-32(51)27(12-14-59-3)41-37(56)42-28(36(54)55)17-21-7-9-23(47)10-8-21/h4-11,13,15,19-20,26-29,31,35,47-49H,12,14,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-/t20-,26-,27-,28-,29+,31-,35+/m0/s1
InChIKeyIBKGYXSLNPEYQW-IHDBKHCHSA-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 H (CHEBI:201870) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(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-(4-hydroxyphenyl)propanoic acid
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