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CHEBI:215105 - Sansanmycin L

ChEBI IDCHEBI:215105
ChEBI NameSansanmycin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H49N9O11
Net Charge0
Average Mass891.939
Monoisotopic Mass891.35515
SMILESC[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O)C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)nc2=O)O1)N(C)C(=O)[C@@H]1Cc2cc(O)ccc2CN1
InChIInChI=1S/C45H49N9O11/c1-24(53(2)41(60)34-18-27-17-29(55)13-12-26(27)21-47-34)38(40(59)48-23-30-20-36(56)42(65-30)54-15-14-37(57)51-45(54)64)52-39(58)33(16-25-8-4-3-5-9-25)49-44(63)50-35(43(61)62)19-28-22-46-32-11-7-6-10-31(28)32/h3-15,17,22-24,33-36,38,42,46-47,55-56H,16,18-21H2,1-2H3,(H,48,59)(H,52,58)(H,61,62)(H2,49,50,63)(H,51,57,64)/b30-23-/t24-,33-,34-,35-,36+,38-,42+/m0/s1
InChIKeyYEZXAIKTNATFNU-BKHZWNLGSA-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 L (CHEBI:215105) 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)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-methylamino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
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