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CHEBI:83007 - (2S)-1-O-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(α-D-galactopyranosyl(1→6)-β-D-galactopyranosyl)-sn-glycerol

ChEBI IDCHEBI:83007
ChEBI Name(2S)-1-O-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(α-D-galactopyranosyl(1→6)-β-D-galactopyranosyl)-sn-glycerol
Stars
ASCII Name(2S)-1-O-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(alpha-D-galactopyranosyl(1->6)-beta-D-galactopyranosyl)-sn-glycerol
DefinitionA galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z)-hexadecadienoyl and linoleoyl as the acyl groups and a 6-O-(α-D-galactopyranosyl)-β-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity.
Last Modified24 September 2014
DownloadsMolfile
FormulaC49H84O15
Net Charge0
Average Mass913.196
Monoisotopic Mass912.58102
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C49H84O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11-14,17-19,22,37-39,42-50,53-58H,3-10,15-16,20-21,23-36H2,1-2H3/b13-11-,14-12-,18-17-,22-19-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1
InChIKeyMIALTXUVFRNKOW-PDHGYAATSA-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-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(α-D-galactopyranosyl(1→6)-β-D-galactopyranosyl)-sn-glycerol (CHEBI:83007) has role Daphnia pulex metabolite (CHEBI:83075)
(2S)-1-O-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(α-D-galactopyranosyl(1→6)-β-D-galactopyranosyl)-sn-glycerol (CHEBI:83007) has role antineoplastic agent (CHEBI:35610)
(2S)-1-O-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(α-D-galactopyranosyl(1→6)-β-D-galactopyranosyl)-sn-glycerol (CHEBI:83007) is a disaccharide derivative (CHEBI:63353)
(2S)-1-O-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(α-D-galactopyranosyl(1→6)-β-D-galactopyranosyl)-sn-glycerol (CHEBI:83007) is a galactoglycerolipid (CHEBI:24145)
IUPAC Name 
(2S)-3-{[6-O-(α-D-galactopyranosyl)-β-D-galactopyranosyl]oxy}-2-[(7Z,10Z)-hexadeca-7,10-dienoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
Registry NumbersSources
Reaxys:7406228Reaxys