CHEBI:178451 - 1-Heptadecanoyl-2-(9Z-heptadecenoyl)-glycero-3-phosphocholine

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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 1-Heptadecanoyl-2-(9Z-heptadecenoyl)-glycero-3-phosphocholine
ChEBI ID CHEBI:178451
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C42H82NO8P
Net Charge 0
Average Mass 760.091
Monoisotopic Mass 759.57781
InChI InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h19,21,40H,6-18,20,22-39H2,1-5H3/b21-19-/t40-/m1/s1
InChIKey DKIULVMMIRHYHM-DFGWVCPLSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing 1-Heptadecanoyl-2-(9Z-heptadecenoyl)-glycero-3-phosphocholine (CHEBI:178451) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-heptadecanoyloxy-2-[(Z)-heptadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
LMGP01011503 LIPID MAPS
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Last Modified
12 November 2021