CHEBI:179099 - PC(18:2(9Z,12Z)/13:0)

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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 PC(18:2(9Z,12Z)/13:0)
ChEBI ID CHEBI:179099
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H74NO8P
Net Charge 0
Average Mass 715.994
Monoisotopic Mass 715.51521
InChI InChI=1S/C39H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-23-17-15-13-11-9-7-2/h14,16,19-20,37H,6-13,15,17-18,21-36H2,1-5H3/b16-14-,20-19-/t37-/m1/s1
InChIKey RFJWWQWWVQESGK-HFWMYYSASA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(18:2(9Z,12Z)/13:0) (CHEBI:179099) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
75319952 ChemSpider
LMGP01011615 LIPID MAPS
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