Molecule

Bathymodiolamide B

AlkaPlorer ID: AK051270

Synonym: '(2S,3R,4S)-4-(dodecanoylamino)-3,5-dihydroxy-2-(4Z,7Z)-undeca-4,7-dienoyloxypentyl tetradecanoate', '2-Deoxy-2-(dodecanoylamino)-5-O-tetradecanoyl-4-O-(4Z,7Z)-4,7-undecadienoyl-L-arabinitol'

IUPAC Name: [(2S,3R,4S)-4-(dodecanoylamino)-3,5-dihydroxy-2-undeca-4,7-dienoyloxypentyl] tetradecanoate

Structure

SMILES: CCCC=CCC=CCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC

InChI: InChI=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)/t37-,38-,42+/m0/s1

InChIKey: YTZVSMIKWGYJCS-IAKNFJPBSA-N

Reference

Bathymodiolamides A and B, Ceramide Derivatives from a Deep-Sea Hydrothermal Vent Invertebrate Mussel, <i>Bathymodiolus thermophilus</i>

PubChem CID: 162961130

LOTUS: LTS0192771

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bathymodiolus thermophilus	Bathymodiolus	Mytilidae	Mytilida	Bivalvia	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 708.0779999999999

TPSA？: 122.16

MolLogP？: 9.9842

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi