CHEBI:181677 - PC 17:0-20:3-d5_ISTD

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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 17:0-20:3-d5_ISTD
ChEBI ID CHEBI:181677
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C45H79D5NO8P
Net Charge 0
Average Mass 803.170
Monoisotopic Mass 802.62484
InChI InChI=1S/C45H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,43H,6-7,9,11-13,15,17-19,21,23-42H2,1-5H3/b10-8-,16-14-,22-20-/t43-/m1/s1/i41D2,42D2,43D
InChIKey VJODNNQZGFWVNO-KBIBGJITSA-N
SMILES P(OCC[N+](C)(C)C)(OC([C@](OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC)(C(OC(=O)CCCCCCCCCCCCCCCC)([2H])[2H])[2H])([2H])[2H])([O-])=O
ChEBI Ontology
Outgoing PC 17:0-20:3-d5_ISTD (CHEBI:181677) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate