CHEBI:180283 - 2E-Phytenoic acid

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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 2E-Phytenoic acid
ChEBI ID CHEBI:180283
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H38O2
Net Charge 0
Average Mass 310.522
Monoisotopic Mass 310.28718
InChI InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15+/t17-,18-/m1/s1
InChIKey WDWBNNBRPVEEOD-PFXVRADUSA-N
SMILES OC(=O)\C=C(\CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)/C
ChEBI Ontology
Outgoing 2E-Phytenoic acid (CHEBI:180283) is a diterpenoid (CHEBI:23849)
IUPAC Name
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
Manual Xref Database
26585154 ChemSpider
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Registry Number Type Source
22352-56-3 CAS Registry Number ChemIDplus