1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol (CHEBI:86337)

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CHEBI:86337 - 1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol

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ChEBI ID	CHEBI:86337
ChEBI Name	1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol
Stars
ASCII Name	1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol
Definition	A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as (9Z,12Z)-octadecadienoyl and octadecanoyl respectively.
Last Modified	22 January 2016
Submitter	namrata
Downloads	Molfile

Formula	C39H72O5
Net Charge	0
Average Mass	621.000
Monoisotopic Mass	620.53798
SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40H,3-10,12,14-16,18,20-36H2,1-2H3/b13-11-,19-17-/t37-/m0/s1
InChIKey	ZXCJPCXCYXXSHZ-ABRBOSAFSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	-	MetaboLights (MTBLS124)
	-	MetaboLights (MTBLS93)
	-	MetaboLights (MTBLS90)
	-	PubMed (25502724)

Roles Classification

Biological Roles:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

ChEBI Ontology

Outgoing Relation(s)
	1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol (CHEBI:86337) has functional parent linoleic acid (CHEBI:17351)
	1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol (CHEBI:86337) has functional parent octadecanoic acid (CHEBI:28842)
	1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol (CHEBI:86337) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
	1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol (CHEBI:86337) is a diacylglycerol 36:2 (CHEBI:85701)

IUPAC Name
(2S)-3-hydroxy-2-(octadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate

Synonyms	Source
1-Linoleoyl-2-stearoyl-sn-glycerol	HMDB
DAG(18:2/18:0)	HMDB
DAG(18:2n6/18:0)	HMDB
DAG(18:2w6/18:0)	HMDB
DG(18:2/18:0)	HMDB
DG(18:2(9Z,12Z)/18:0/0:0)	HMDB

Manual Xrefs	Databases
HMDB0007245	HMDB

Citations