CHEBI:215116 - Sansanmycin I

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sansanmycin I
ChEBI ID CHEBI:215116
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H49N9O11
Net Charge 0
Average Mass 879.928
Monoisotopic Mass 879.35515
InChI InChI=1S/C44H49N9O11/c1-24(52(2)40(59)31(45)18-26-11-8-12-28(54)17-26)37(39(58)47-23-29-21-35(55)41(64-29)53-16-15-36(56)50-44(53)63)51-38(57)33(19-25-9-4-3-5-10-25)48-43(62)49-34(42(60)61)20-27-22-46-32-14-7-6-13-30(27)32/h3-17,22-24,31,33-35,37,41,46,54-55H,18-21,45H2,1-2H3,(H,47,58)(H,51,57)(H,60,61)(H2,48,49,62)(H,50,56,63)/b29-23-/t24-,31-,33-,34-,35+,37-,41+/m0/s1
InChIKey ZNZNMFXEMFQCEI-MEQDLJNYSA-N
SMILES O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)CC5=CC=CC=C5)[C@@H](N(C(=O)[C@@H](N)CC6=CC(O)=CC=C6)C)C)/C[C@H]2O
Metabolite of Species Details
Streptomycesspecies SS (NCBI:txid260742) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Sansanmycin I (CHEBI:215116) 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]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Manual Xref Database
58134347 ChemSpider
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