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CHEBI:66805 - obyanamide

ChEBI IDCHEBI:66805
ChEBI Nameobyanamide
Stars
DefinitionA cyclodepsipeptide isolated from Lyngbya confervoides and has been shown to exhibit antineoplastic activity.
Last Modified17 April 2013
DownloadsMolfile
FormulaC30H41N5O6S
Net Charge0
Average Mass599.754
Monoisotopic Mass599.27776
SMILESCC[C@H]1CC(=O)O[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2nc(cs2)C(=O)N1
InChIInChI=1S/C30H41N5O6S/c1-8-21-15-24(36)41-19(5)29(39)35(7)25(17(2)3)30(40)34(6)23(14-20-12-10-9-11-13-20)27(38)31-18(4)28-33-22(16-42-28)26(37)32-21/h9-13,16-19,21,23,25H,8,14-15H2,1-7H3,(H,31,38)(H,32,37)/t18-,19-,21-,23-,25-/m0/s1
InChIKeyHTERYHQTEBIQTA-USLAZGEGSA-N
Species of MetaboliteComponentSourceComments
Lyngbya confervoides (ncbitaxon:207921) - PubMed (11809060)
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
obyanamide (CHEBI:66805) has role antineoplastic agent (CHEBI:35610)
obyanamide (CHEBI:66805) has role metabolite (CHEBI:25212)
obyanamide (CHEBI:66805) is a cyclodepsipeptide (CHEBI:35213)
obyanamide (CHEBI:66805) is a macrocycle (CHEBI:51026)
IUPAC Name 
(2S,5S,8S,11S,15S)-5-benzyl-15-ethyl-2,6,9,11-tetramethyl-8-(propan-2-yl)-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Synonym  Source
(4S,8S,11S,14S,17S)-14-benzyl-4-ethyl-8,10,13,17-tetramethyl-11-propan-2-yl-7-oxa-19-thia-3,10,13,16,21-pentazabicyclo[16.2.1]henicosa-1(20),18(21)-diene-2,6,9,12,15-pentoneChEBI
Registry NumbersSources
Reaxys:9101921Reaxys
Citations