CHEBI:176694 - 1-STEAROYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

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ChEBI Name 1-STEAROYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
ChEBI ID CHEBI:176694
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H84NO8P
Net Charge 0
Average Mass 834.173
Monoisotopic Mass 833.59346
InChI InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28,30,34,36,46H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1
InChIKey AHWXJDWBIIDPKS-TZUVPVEASA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 1-STEAROYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE (CHEBI:176694) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767388 ChemSpider
HMDB0008727 HMDB
LMGP01012107 LIPID MAPS
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Registry Number Type Source
99264-99-0 CAS Registry Number ChemIDplus