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CHEBI:203041 - Salinamide D

ChEBI IDCHEBI:203041
ChEBI NameSalinamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H67N7O15
Net Charge0
Average Mass1006.120
Monoisotopic Mass1005.46951
SMILESCC(C)[C@@H](O)[C@@H](C)C(=O)N[C@@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H]2C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](COC(=O)CNC(=O)/C=C\[C@]3(CO3)[C@@H](C)Oc3ccc2cc3)C(=O)O[C@@H]1C
InChIInChI=1S/C50H67N7O15/c1-25(2)38-45(64)56-41-32-15-17-33(18-16-32)72-30(8)50(24-70-50)20-19-36(59)51-22-37(60)69-23-34(49(68)71-29(7)40(47(66)53-38)55-43(62)27(5)42(61)26(3)4)52-46(65)39(28(6)58)54-44(63)35(57(9)48(41)67)21-31-13-11-10-12-14-31/h10-20,25-30,34-35,38-42,58,61H,21-24H2,1-9H3,(H,51,59)(H,52,65)(H,53,66)(H,54,63)(H,55,62)(H,56,64)/b20-19-/t27-,28+,29-,30-,34+,35+,38-,39-,40+,41+,42-,50+/m1/s1
InChIKeyBZSPUVXYOYRBCS-SPORLFEBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo9814391)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Salinamide D (CHEBI:203041) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R,3R)-N-[(1S,7R,8S,9Z,17S,20R,21S,24R,29S,32R)-29-benzyl-32-[(1S)-1-hydroxyethyl]-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-24-propan-2-ylspiro[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 XrefsDatabases
78436954ChemSpider