CHEBI:171227 - DG(18:1n7/0:0/20:3n9)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name DG(18:1n7/0:0/20:3n9)
ChEBI ID CHEBI:171227
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H72O5
Net Charge 0
Average Mass 645.022
Monoisotopic Mass 644.53798
InChI InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,39,42H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b16-14-,19-17-,24-22-,30-28-/t39-/m1/s1
InChIKey AOJHJOJGZVBHGF-ZQTJDSEGSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via diglyceride )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via diglyceride )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing DG(18:1n7/0:0/20:3n9) (CHEBI:171227) is a 1,3-diacyl-sn-glycerol (CHEBI:77272)
IUPAC Name
[(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual Xrefs Databases
74854535 ChemSpider
HMDB0056180 HMDB
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Last Modified
29 July 2021