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CHEBI:68036 - Bathymodiolamide B

ChEBI IDCHEBI:68036
ChEBI NameBathymodiolamide B
Stars
DefinitionA natural product found in Bathymodiolus thermophilus.
Last Modified7 October 2019
DownloadsMolfile
FormulaC42H77NO7
Net Charge0
Average Mass708.078
Monoisotopic Mass707.57000
SMILESCCC/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1
InChIKeyYTZVSMIKWGYJCS-KTQSWVMESA-N
Species of MetaboliteComponentSourceComments
Bathymodiolus thermophilus (ncbitaxon:12966) gill (BTO:0000518) PubMed (21222464) Methanolic extract of tissues from gills
Roles Classification
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)
Bathymodiolamide B (CHEBI:68036) has role metabolite (CHEBI:25212)
Bathymodiolamide B (CHEBI:68036) is a fatty acid ester (CHEBI:35748)
Bathymodiolamide B (CHEBI:68036) is a polyunsaturated fatty ester (CHEBI:145039)
Synonyms  Source
2-Deoxy-2-(dodecanoylamino)-5-O-tetradecanoyl-4-O-[(4Z,7Z)-4,7-undecadienoyl]-L-arabinitolChEBI
[(2S,3R,4S)-4-(dodecanoylamino)-3,5-dihydroxy-2-[(4Z,7Z)-undeca-4,7-dienoyl]oxypentyl] tetradecanoateChEBI
Citations