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CHEBI:68035 - Bathymodiolamide A

ChEBI IDCHEBI:68035
ChEBI NameBathymodiolamide A
Stars
DefinitionA natural product found in Bathymodiolus thermophilus.
Last Modified7 October 2019
DownloadsMolfile
FormulaC49H89NO7
Net Charge0
Average Mass804.251
Monoisotopic Mass803.66390
SMILESCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C49H89NO7/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-47(53)56-43-45(57-48(54)41-38-35-32-29-26-24-22-20-17-14-11-8-5-2)49(55)44(42-51)50-46(52)39-36-33-30-27-18-15-12-9-6-3/h11,14,20,22,26,29,44-45,49,51,55H,4-10,12-13,15-19,21,23-25,27-28,30-43H2,1-3H3,(H,50,52)/b14-11-,22-20-,29-26-/t44-,45-,49+/m0/s1
InChIKeyZWRWCDYNQPJUJY-MWNPFMMGSA-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 A (CHEBI:68035) has role metabolite (CHEBI:25212)
Bathymodiolamide A (CHEBI:68035) is a polyunsaturated fatty ester (CHEBI:145039)
Synonyms  Source
[(2S,3R,4S)-4-(dodecanoylamino)-2-[(6Z,9Z,12Z)-hexadeca-6,9,12-trienoyl]oxy-3,5-dihydroxypentyl] hexadecanoateChEBI
2-Deoxy-2-(dodecanoylamino)-4-O-[(6Z,9Z,12Z)-6,9,12-hexadecatrienoyl]-5-O-palmitoyl-L-arabinitolChEBI
Citations