CHEBI:177006 - PC(18:0/20:5(9Z,11Z,13Z,15Z,17Z))

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ChEBI Name PC(18:0/20:5(9Z,11Z,13Z,15Z,17Z))
ChEBI ID CHEBI:177006
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H82NO8P
Net Charge 0
Average Mass 808.135
Monoisotopic Mass 807.57781
InChI InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22-23,25,44H,6-7,9,11,13,15,17,19,21,24,26-43H2,1-5H3/b10-8-,14-12-,18-16-,22-20-,25-23-/t44-/m1/s1
InChIKey QRHBQDASPXNHQA-DRCLNZIMSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\C=C/C=C\C=C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via lysophosphatidylcholine )
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ChEBI Ontology
Outgoing PC(18:0/20:5(9Z,11Z,13Z,15Z,17Z)) (CHEBI:177006) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name
[(2R)-2-[(9Z,11Z,13Z,15Z,17Z)-icosa-9,11,13,15,17-pentaenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24822490 ChemSpider
LMGP01010807 LIPID MAPS
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