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CHEBI:83005 - (2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-β-D-galactopyranosyl-sn-glycerol

ChEBI IDCHEBI:83005
ChEBI Name(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-β-D-galactopyranosyl-sn-glycerol
Stars
ASCII Name(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-beta-D-galactopyranosyl-sn-glycerol
DefinitionA galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having two (7Z,10Z)-hexadecadienoyl as the acyl groups and a β-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity.
Last Modified24 September 2014
DownloadsMolfile
FormulaC41H70O10
Net Charge0
Average Mass723.001
Monoisotopic Mass722.49690
SMILESCCCCC/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H70O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,34-35,38-42,45-47H,3-10,15-16,21-33H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t34-,35-,38+,39+,40-,41-/m1/s1
InChIKeyKWCKKXIJZWQRPH-YANVFIFYSA-N
Species of MetaboliteComponentSourceComments
Daphnia pulex (ncbitaxon:6669) - Article (Cytotoxic Constituents from Daphnia pulexR.M. Perez Gutierrez and R. Lule P. Pharmaceutical Biology 2005, Vol. 43, No. 4, pp. 313-316)
Roles Classification
Biological Role:
Daphnia pulex metabolite  A Daphnia metabolite produced by the species Daphnia pulex.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-β-D-galactopyranosyl-sn-glycerol (CHEBI:83005) has role Daphnia pulex metabolite (CHEBI:83075)
(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-β-D-galactopyranosyl-sn-glycerol (CHEBI:83005) has role antineoplastic agent (CHEBI:35610)
(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-β-D-galactopyranosyl-sn-glycerol (CHEBI:83005) is a monosaccharide derivative (CHEBI:63367)
(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-β-D-galactopyranosyl-sn-glycerol (CHEBI:83005) is a β-D-galactopyranosyl diglyceride (CHEBI:61799)
IUPAC Name 
(2S)-3-(β-D-galactopyranosyloxy)propane-1,2-diyl (7Z,10Z,7'Z,10'Z)bis-hexadeca-7,10-dienoate
Registry NumbersSources
Reaxys:7403326Reaxys