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CHEBI:214688 - Homodolastatin 16

Default Structure
ChEBI IDCHEBI:214688
ChEBI NameHomodolastatin 16
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H72N6O10
Net Charge0
Average Mass893.136
Monoisotopic Mass892.53099
SMILESCC[C@@H](C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)NC(C(C)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NC(C(C)C)C(C)C(=O)OC(C)C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)C)C(=O)N1C
InChIInChI=1S/C48H72N6O10/c1-11-29(6)39-45(59)53-24-16-21-35(53)42(56)50-38(30(7)26-33-18-13-12-14-19-33)44(58)52-23-15-20-34(52)41(55)49-37(27(2)3)31(8)47(61)63-32(9)43(57)54-25-17-22-36(54)48(62)64-40(28(4)5)46(60)51(39)10/h12-14,18-19,27-32,34-40H,11,15-17,20-26H2,1-10H3,(H,49,55)(H,50,56)/t29-,30?,31?,32?,34+,35+,36+,37?,38?,39-,40-/m1/s1
InChIKeyFHDYETHRKSGXJQ-BHNJPRHWSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (12762816)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Homodolastatin 16 (CHEBI:214688) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(6S,12R,15R,18S,31S)-12-[(2R)-butan-2-yl]-13,24,27-trimethyl-3-(1-phenylpropan-2-yl)-15,28-di(propan-2-yl)-16,25-dioxa-1,4,10,13,22,29-hexazatetracyclo[29.3.0.06,10.018,22]tetratriacontane-2,5,11,14,17,23,26,30-octone
Manual XrefsDatabases
10258245ChemSpider