CHEBI:215105 - Sansanmycin L

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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 L
ChEBI ID CHEBI:215105
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H49N9O11
Net Charge 0
Average Mass 891.939
Monoisotopic Mass 891.35515
InChI InChI=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
InChIKey YEZXAIKTNATFNU-BKHZWNLGSA-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]6NCC=7C=CC(=CC7C6)O)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 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
Manual Xref Database
78438073 ChemSpider
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