CHEBI:68035 - Bathymodiolamide A

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ChEBI Name Bathymodiolamide A
ChEBI ID CHEBI:68035
Definition A natural product found in Bathymodiolus thermophilus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C49H89NO7
Net Charge 0
Average Mass 804.23350
Monoisotopic Mass 803.66390
InChI InChI=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
InChIKey ZWRWCDYNQPJUJY-MWNPFMMGSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCC\C=C/C\C=C/C\C=C/CCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC
Metabolite of Species Details
Bathymodiolus thermophilus (NCBI:txid12966) Found in gill (BTO:0000518). Methanolic extract of tissues from gills See: PubMed
Roles Classification
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 Bathymodiolamide A (CHEBI:68035) has role metabolite (CHEBI:25212)
Bathymodiolamide A (CHEBI:68035) is a polyunsaturated fatty ester (CHEBI:145039)
Synonyms Sources
2-Deoxy-2-(dodecanoylamino)-4-O-[(6Z,9Z,12Z)-6,9,12-hexadecatrienoyl]-5-O-palmitoyl-L-arabinitol ChEBI
[(2S,3R,4S)-4-(dodecanoylamino)-2-[(6Z,9Z,12Z)-hexadeca-6,9,12-trienoyl]oxy-3,5-dihydroxypentyl] hexadecanoate ChEBI
Citation Waiting for Citations Type Source
21222464 PubMed citation Europe PMC
Last Modified
07 October 2019
General Comment
2014-10-17 Suggested Classification: ISA:dicarboxylic acid(CHEBI:35692); ISA:fatty amide(CHEBI:29348); ISA:carboxamide(CHEBI:37622); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586); ISA:amine(CHEBI:32952);