CHEBI:187935 - Hipposterol

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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 Hipposterol
ChEBI ID CHEBI:187935
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O3
Net Charge 0
Average Mass 420.678
Monoisotopic Mass 420.36035
InChI InChI=1S/C27H48O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h13,18-20,22-25,28-30H,6-12,14-17H2,1-5H3/b21-13-/t19-,20+,22-,23+,24+,25+,26-,27-/m1/s1
InChIKey IQSTZRCIVTWSDM-XLPQHYNXSA-N
SMILES O[C@@H]1[C@@]([C@@]2(\C(\[C@]3([C@@]([C@](CC3)([C@@H](CCCC(C)C)C)[H])(CC2)C)[H])=C/CO)[H])(CC[C@H](O)C1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Hipposterol (CHEBI:187935) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1S,3S,4R)-4-[(1R,3aR,4Z,5S,7aR)-4-(2-hydroxyethylidene)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-5-yl]-4-methylcyclohexane-1,3-diol
Manual Xrefs Databases
29214139 ChemSpider
LMST01010294 LIPID MAPS
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