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CHEBI:42027 - 1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:42027
ChEBI Name1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
DefinitionA 1,2-di-octadecadienoyl-sn-glycero-3-phosphocholine in which the double bonds in each fatty acyl group are at positions 9 and 12 and have Z configuration.
Secondary ChEBI IDCHEBI:86129
Last Modified29 March 2018
Submitternamrata
DownloadsMolfile
FormulaC44H80NO8P
Net Charge0
Average Mass782.097
Monoisotopic Mass781.56216
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
InChIKeyFVXDQWZBHIXIEJ-LNDKUQBDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
urine (BTO:0001419) PubMed (24023812)
- MetaboLights (MTBLS178)
saliva (UBERON:0001836) MetaboLights (MTBLS178) From MetaboLights
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS378) From MetaboLights
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:42027) has functional parent linoleic acid (CHEBI:17351)
1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:42027) is a 1-linoleoyl-2-acyl-sn-glycero-3-phosphocholine (CHEBI:167148)
1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:42027) is a 1,2-di-octadecadienoyl-sn-glycero-3-phosphocholine (CHEBI:84815)
IUPAC Name 
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPDBeChem
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphatePDBeChem
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphateIUPAC
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINEPDBeChem
1,2-di-O-linoleoyl-sn-glycero-3-phosphocholineChEBI
L-DilinoleoyllecithinChemIDplus
UniProt Name  Source
1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
DLPPDBeChem
LMGP01010937LIPID MAPS
HMDB0008138HMDB
Registry NumbersSources
Reaxys:5212188Reaxys
CAS:998-06-1ChemIDplus
Citations