CHEBI:69192 - Dolastatin 12

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ChEBI Name Dolastatin 12
ChEBI ID CHEBI:69192
Definition A natural product found in Leptolyngbya speciesRS03.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C50H80N8O11
Net Charge 0
Average Mass 969.21720
Monoisotopic Mass 968.59466
InChI InChI=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
InChIKey MLDFWFKDAWCBSV-JXVYMESPSA-N
SMILES CC[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
Metabolite of Species Details
Leptolyngbya sp.cies RS03 (NCBI:txid1009459) Crude organic extract of Leptolyngbya sp.RS03 collected from the Red Sea shipwreck SS Thistlegorm See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Dolastatin 12 (CHEBI:69192) has role metabolite (CHEBI:25212)
Dolastatin 12 (CHEBI:69192) is a cyclodepsipeptide (CHEBI:35213)
Registry Number Type Source
122054-77-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21806012 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:carboxamide(CHEBI:37622); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:cyclic ketone(CHEBI:3992); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575);