1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(beta-D-galactosyl)-sn-glycerol (CHEBI:90577)

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CHEBI:90577 - 1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol

ChEBI ID	CHEBI:90577
ChEBI Name	1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol
Stars
ASCII Name	1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(beta-D-galactosyl)-sn-glycerol
Definition	A 1,2-diacyl-3-(β-D-galactosyl)-sn-glycerol in which the 1- and 2- acyl groups are specified as (9S,13S-12-oxophytodienoyl) and (7Z,10Z,13Z)-hexadecatrienoyl respectively.
Last Modified	10 December 2015
Submitter	nhn
Downloads	Molfile

Formula	C43H68O11
Net Charge	0
Average Mass	761.006
Monoisotopic Mass	760.47616
SMILES	CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C43H68O11/c1-3-5-7-8-9-10-11-12-13-14-15-18-23-27-39(47)53-34(32-52-43-42(50)41(49)40(48)37(30-44)54-43)31-51-38(46)26-22-19-16-17-21-24-33-28-29-36(45)35(33)25-20-6-4-2/h5-7,9-10,12-13,20,28-29,33-35,37,40-44,48-50H,3-4,8,11,14-19,21-27,30-32H2,1-2H3/b7-5-,10-9-,13-12-,20-6-/t33-,34+,35-,37+,40-,41-,42+,43+/m0/s1
InChIKey	CWRWJDAEKWYUJT-CGKXPTHNSA-N

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol (CHEBI:90577) has functional parent (15Z)-12-oxophyto-10,15-dienoic acid (CHEBI:15560)
	1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol (CHEBI:90577) has functional parent all-cis-7,10,13-hexadecatrienoic acid (CHEBI:22340)
	1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol (CHEBI:90577) has role plant metabolite (CHEBI:76924)
	1-(9S,13S,12-oxophytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol (CHEBI:90577) is a 1,2-diacyl-3-β-D-galactosyl-sn-glycerol (CHEBI:17615)

IUPAC Name
(2S)-1-(β-D-galactopyranosyloxy)-3-[(8-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoyl)oxy]propan-2-yl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

UniProt Name	Source
1-(9S,13S-12-oxo-10,15Z-phytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-(β-D-galactosyl)-sn-glycerol	UniProt

Citations