CHEBI:230150 - Cer(d16:1/5-iso PGF2VI)

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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 Cer(d16:1/5-iso PGF2VI)
ChEBI ID CHEBI:230150
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H61NO6
Net Charge 0
Average Mass 579.863
Monoisotopic Mass 579.44989
InChI InChI=1S/C34H61NO6/c1-3-5-7-8-9-10-11-12-13-14-16-21-31(38)30(26-36)35-34(41)22-18-17-20-28-29(33(40)25-32(28)39)24-23-27(37)19-15-6-4-2/h16-18,21,23-24,27-33,36-40H,3-15,19-20,22,25-26H2,1-2H3,(H,35,41)/b18-17-,21-16+,24-23+/t27-,28+,29-,30+,31-,32+,33-/m1/s1
InChIKey ZJIJDTZEEABZPM-PUFJAHBCSA-N
SMILES O[C@@H]1[C@H]([C@H]([C@H](O)C1)/C=C/[C@H](O)CCCCC)C/C=C\CC(=O)N[C@H]([C@H](O)/C=C/CCCCCCCCCCC)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Cer(d16:1/5-iso PGF2VI) (CHEBI:230150) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enamide
Manual Xref Database
HMDB0289859 HMDB
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