CHEBI:191289 - 18:3-16:3-PA

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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 18:3-16:3-PA
ChEBI ID CHEBI:191289
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H59O8P
Net Charge -2
Average Mass 662.846
Monoisotopic Mass 662.39585
InChI InChI=1S/C37H61O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,22,35H,3-4,9-10,15-16,20-21,23-34H2,1-2H3,(H2,40,41,42)/p-2/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-/t35-/m1/s1
InChIKey INZFHWSISOLQEQ-CXGDOZRDSA-L
SMILES P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)([O-])([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 18:3-16:3-PA (CHEBI:191289) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] phosphate