CHEBI:227666 - Salinamide A

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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 Salinamide A
ChEBI ID CHEBI:227666
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C51H69N7O15
Net Charge 0
Average Mass 1020.147
Monoisotopic Mass 1019.48516
InChI InChI=1S/C51H69N7O15/c1-10-27(4)39-46(65)57-42-33-16-18-34(19-17-33)73-31(8)51(25-71-51)21-20-37(60)52-23-38(61)70-24-35(50(69)72-30(7)41(48(67)54-39)56-44(63)28(5)43(62)26(2)3)53-47(66)40(29(6)59)55-45(64)36(58(9)49(42)68)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,59,62H,10,22-25H2,1-9H3,(H,52,60)(H,53,66)(H,54,67)(H,55,64)(H,56,63)(H,57,65)/b21-20+/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42-,43+,51-/m1/s1
InChIKey UIHLRTKYJPYYEU-OBBNVNRZSA-N
SMILES O=C1NCC(=O)OC[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](CC3=CC=CC=C3)N(C([C@@H](C4=CC=C(O[C@H]([C@]5(C=C1)OC5)C)C=C4)NC(=O)[C@@H](NC([C@@H]([C@@H](OC2=O)C)NC(=O)[C@H]([C@@H](O)C(C)C)C)=O)[C@@H](CC)C)=O)C)[C@@H](O)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: DOI
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 Salinamide A (CHEBI:227666) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S,3S)-N-[(1R,7S,8R,9E,17R,20S,21R,24S,29R,32S)-29-benzyl-24-[(2R)-butan-2-yl]-32-[(1S)-1-hydroxyethyl]-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxospiro[6,15,19-trioxa-12,23,26,28,31,34-hexazatricyclo[15.9.8.22,5]hexatriaconta-2(36),3,5(35),9-tetraene-8,2'-oxirane]-21-yl]-3-hydroxy-2,4-dimethylpentanamide
Manual Xref Database
8278064 ChemSpider
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