CHEBI:196670 - PC(13:0/17:2(9Z,12Z))

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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(13:0/17:2(9Z,12Z))
ChEBI ID CHEBI:196670
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H72NO8P
Net Charge 0
Average Mass 701.967
Monoisotopic Mass 701.49956
InChI InChI=1S/C38H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-17-15-13-11-9-7-2/h12,14,18-19,36H,6-11,13,15-17,20-35H2,1-5H3/b14-12-,19-18-/t36-/m1/s1
InChIKey YSTGUAZVAJMSJZ-LRJQWVAUSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(13:0/17:2(9Z,12Z)) (CHEBI:196670) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
113374904 ChemSpider
LMGP01011345 LIPID MAPS
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