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CHEBI:68856 - Didemnin B

ChEBI IDCHEBI:68856
ChEBI NameDidemnin B
Stars
DefinitionA natural product found particularly in Lyngbya majuscula and Trididemnum solidum.
Last Modified4 November 2015
DownloadsMolfile
FormulaC57H89N7O15
Net Charge0
Average Mass1112.373
Monoisotopic Mass1111.64167
SMILESCC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
InChIInChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1
InChIKeyKYHUYMLIVQFXRI-SJPGYWQQSA-N
Species of MetaboliteComponentSourceComments
Trididemnum solidum (ncbitaxon:1079459) - PubMed (21770369)
Tistrella mobilis (ncbitaxon:171437) - PubMed (22035372) 1. An isolate of alpha-probacterium2. Methanolic extract of bacteria Strain: YIT 12409
Lyngbya majuscula (ncbitaxon:158786) - PubMed (22035372)
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)
Didemnin B (CHEBI:68856) has role metabolite (CHEBI:25212)
Didemnin B (CHEBI:68856) is a didemnin (CHEBI:90209)
Synonym  Source
Didemnin A, N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-, (S)-ChEBI
Manual XrefsDatabases
0077327050ChemIDplus
C16847KEGG COMPOUND
Registry NumbersSources
CAS:77327-05-0KEGG COMPOUND
Citations