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CHEBI:200983 - Lagunamide C

ChEBI IDCHEBI:200983
ChEBI NameLagunamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H73N5O10
Net Charge0
Average Mass856.115
Monoisotopic Mass855.53574
SMILESCC[C@@H](C)[C@@H]1NC(=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](C)C[C@H]([C@@H](C)CC)OC(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C46H73N5O10/c1-14-27(4)37-24-31(8)36(52)23-22-30(7)45(58)61-40(29(6)16-3)41(54)47-32(9)42(55)51(13)35(25-34-20-18-17-19-21-34)43(56)49(11)26-38(53)48-39(28(5)15-2)44(57)50(12)33(10)46(59)60-37/h17-22,27-29,31-33,35-37,39-40,52H,14-16,23-26H2,1-13H3,(H,47,54)(H,48,53)/b30-22+/t27-,28+,29-,31+,32-,33-,35+,36-,37+,39-,40+/m0/s1
InChIKeyPMFRUEJPDMDGMJ-KROWHSFXSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (21903231)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lagunamide C (CHEBI:200983) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,12R,15S,18R,21E,24S,25R,27R)-12-benzyl-18,27-bis[(2S)-butan-2-yl]-6-[(2R)-butan-2-yl]-24-hydroxy-3,4,10,13,15,21,25-heptamethyl-1,19-dioxa-4,7,10,13,16-pentazacycloheptacos-21-ene-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
29214449ChemSpider