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CHEBI:67337 - Dolastatin 16

ChEBI IDCHEBI:67337
ChEBI NameDolastatin 16
Stars
DefinitionA natural product found particularly in Lyngbya majuscula and Dolabella auricularia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC47H70N6O10
Net Charge0
Average Mass879.109
Monoisotopic Mass878.51534
SMILESCC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)OC(=O)[C@@H]1C
InChIInChI=1S/C47H70N6O10/c1-26(2)36-30(8)46(60)62-31(9)42(56)53-24-16-21-35(53)47(61)63-39(28(5)6)45(59)50(10)38(27(3)4)44(58)52-23-15-20-34(52)41(55)49-37(29(7)25-32-17-12-11-13-18-32)43(57)51-22-14-19-33(51)40(54)48-36/h11-13,17-18,26-31,33-39H,14-16,19-25H2,1-10H3,(H,48,54)(H,49,55)/t29-,30-,31+,33+,34+,35+,36-,37+,38-,39-/m1/s1
InChIKeyJXOFEBNJOOEXJY-QNCIAAGJSA-N
Species of MetaboliteComponentSourceComments
Dolabella auricularia (ncbitaxon:6511) - PubMed (21539315)
Symploca hydnoides (ncbitaxon:207924) - PubMed (21446699) EtOAc-MeOH(1:1) extract of freeze-dried cyanobacteria
Lyngbya majuscula (ncbitaxon:158786) - PubMed (21539315)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Dolastatin 16 (CHEBI:67337) has role metabolite (CHEBI:25212)
Dolastatin 16 (CHEBI:67337) is a cyclodepsipeptide (CHEBI:35213)
Synonym  Source
7-epi-3,4-bis-nor-dolastatin 11ChEBI
Manual XrefsDatabases
0192214576ChemIDplus
Citations