CHEBI:68856 - Didemnin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Didemnin B
ChEBI ID CHEBI:68856
Definition A natural product found particularly in Lyngbya majuscula and Trididemnum solidum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C57H89N7O15
Net Charge 0
Average Mass 1112.35450
Monoisotopic Mass 1111.64167
InChI InChI=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
InChIKey KYHUYMLIVQFXRI-SJPGYWQQSA-N
SMILES CC[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](OC(=O)C[C@@H]1O)C(C)C
Metabolite of Species Details
Trididemnum solidum (NCBI:txid1079459) See: PubMed
Lyngbya majuscula (NCBI:txid158786) See: PubMed
Tistrella mobilis (NCBI:txid171437) 1. An isolate of alpha-probacterium2. Methanolic extract of bacteria of strain YIT 12409 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 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 Xrefs Databases
0077327050 ChemIDplus
C16847 KEGG COMPOUND
View more database links
Registry Number Type Source
77327-05-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
21770369 PubMed citation Europe PMC
22035372 PubMed citation Europe PMC
Last Modified
04 November 2015
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:alpha-amino acid ester(CHEBI:46874); ISA:N-acyl-amino acid(CHEBI:51569); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:amino acid amide(CHEBI:22475); ISA:N-acylpyrrolidine(CHEBI:46766); ISA:methoxybenzene(CHEBI:51683); ISA:pyrrolidinecarboxamide(CHEBI:46770); ISA:aralkylamine(CHEBI:18000); ISA:aromatic ether(CHEBI:35618); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:fatty amide(CHEBI:29348); ISA:dicarboxylic acid(CHEBI:35692); ISA:carbonyl compound(CHEBI:36586); ISA:carboxamide(CHEBI:37622); ISA:tertiary amine(CHEBI:32876); ISA:cyclic ketone(CHEBI:3992); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575);