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CHEBI:69192 - Dolastatin 12

ChEBI IDCHEBI:69192
ChEBI NameDolastatin 12
Stars
DefinitionA natural product found in Leptolyngbya species RS03.
Last Modified22 September 2014
DownloadsMolfile
FormulaC50H80N8O11
Net Charge0
Average Mass969.235
Monoisotopic Mass968.59466
SMILESCC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O
InChIInChI=1S/C50H80N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-41H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30-,31-,32-,33-,35+,36-,37-,40-,41-/m0/s1
InChIKeyMLDFWFKDAWCBSV-JXVYMESPSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbya species RS03 (ncbitaxon:1009459) - PubMed (21806012) Crude organic extract of Leptolyngbya sp.RS03 collected from the Red Sea shipwreck SS Thistlegorm
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 12 (CHEBI:69192) has role metabolite (CHEBI:25212)
Dolastatin 12 (CHEBI:69192) is a cyclodepsipeptide (CHEBI:35213)
Registry NumbersSources
CAS:122054-77-7ChemIDplus
Citations