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CHEBI:210624 - Odoamide

ChEBI IDCHEBI:210624
ChEBI NameOdoamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H73N5O10
Net Charge0
Average Mass856.115
Monoisotopic Mass855.53574
SMILESCCC[C@H](C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C
InChIInChI=1S/C46H73N5O10/c1-14-20-29(6)39-31(8)36(52)24-23-30(7)45(58)61-40(28(5)16-3)41(54)47-32(9)42(55)51(13)35(25-34-21-18-17-19-22-34)43(56)49(11)26-37(53)48-38(27(4)15-2)44(57)50(12)33(10)46(59)60-39/h17-19,21-23,27-29,31-33,35-36,38-40,52H,14-16,20,24-26H2,1-13H3,(H,47,54)(H,48,53)/b30-23+/t27-,28-,29-,31-,32-,33-,35+,36-,38-,39+,40+/m0/s1
InChIKeyYJQOYCXXISGMIG-LVAZOHBQSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - DOI (10.1016/j.tet.2016.07.031)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Odoamide (CHEBI:210624) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,12R,15S,18R,21E,24S,25S,26R)-12-benzyl-6,18-bis[(2S)-butan-2-yl]-24-hydroxy-3,4,10,13,15,21,25-heptamethyl-26-[(2S)-pentan-2-yl]-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
58197080ChemSpider