CHEBI:172963 - (3S,6S)-9,10-seco-5(10),6,7-cholestatrien-3-ol

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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 (3S,6S)-9,10-seco-5(10),6,7-cholestatrien-3-ol
ChEBI ID CHEBI:172963
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C27H44O
Net Charge 0
Average Mass 384.648
Monoisotopic Mass 384.33922
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h13,19,21,24-26,28H,6-11,14-18H2,1-5H3/t12-,21-,24+,25-,26+,27-/m1/s1
InChIKey YZGASHZUSKGPDO-WZRNXNRTSA-N
SMILES [C@@](=C1CCC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)=C(C=3C[C@H](CCC3C)O)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J See: MetaboLights Study
Roles Classification
Biological Role(s): fat-soluble vitamin (role)
Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin D )
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ChEBI Ontology
Outgoing (3S,6S)-9,10-seco-5(10),6,7-cholestatrien-3-ol (CHEBI:172963) is a vitamin D (CHEBI:27300)
Manual Xref Database
LMST03020228 LIPID MAPS instance accession
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