CHEBI:89415 - PC(18:3(9Z,12Z,15Z)/P-18:0)

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ChEBI Name PC(18:3(9Z,12Z,15Z)/P-18:0)
ChEBI ID CHEBI:89415
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB4304735, ChemicalBook:CB1724246, eMolecules:538412, Selleckchem:Hesperetin, ZINC000000039092
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Hesperetin is the 4'-methoxy derivative of eriodictyol, a flavanone. The 7-O-glycoside of hesperetin, hesperidin, is a naturally occurring flavanone-glycoside, the main flavonoid in grapefruits, lemons, and sweet oranges.
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Formula C44H82NO7P
Net Charge 0
Average Mass 768.100
Monoisotopic Mass 767.58289
InChI InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,36,39,43H,6-8,10,12-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,39-36-
InChIKey SVYSTFPSOJUEFY-FINMKEMFSA-N
SMILES C(C(COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)O/C=C\CCCCCCCCCCCCCCCC)OP([O-])(=O)OCC[N+](C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing PC(18:3(9Z,12Z,15Z)/P-18:0) (CHEBI:89415) is a glycerophosphocholine (CHEBI:36313)
Synonyms Sources
1-a-Linolenoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphocholine HMDB
1-alpha-Linolenoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphocholine HMDB
GPCho(18:3/18:0) HMDB
GPCho(18:3n3/18:0) HMDB
GPCho(18:3w3/18:0) HMDB
GPCho(36:3) HMDB
Lecithin HMDB
PC aa C36:3 HMDB
PC(18:3/18:0) HMDB
PC(18:3n3/18:0) HMDB
PC(18:3w3/18:0) HMDB
PC(36:3) HMDB
Phosphatidylcholine(18:3/18:0) HMDB
Phosphatidylcholine(18:3n3/18:0) HMDB
Phosphatidylcholine(18:3w3/18:0) HMDB
Phosphatidylcholine(36:3) HMDB
trimethyl[2-({2-[(1Z)-octadec-1-en-1-yloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato}oxy)ethyl]azanium HMDB
Manual Xrefs Databases
HMDB0008226 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
View more database links
Citation Type Source
24023812 PubMed citation Europe PMC