CHEBI:156130 - 1alpha,25-dihydroxy-26,27-ethanocholecalciferol

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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 1alpha,25-dihydroxy-26,27-ethanocholecalciferol
ChEBI ID CHEBI:156130
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C29H46O3
Net Charge 0
Average Mass 442.684
Monoisotopic Mass 442.34470
InChI InChI=1S/C29H46O3/c1-20(8-6-17-29(32)15-4-5-16-29)25-12-13-26-22(9-7-14-28(25,26)3)10-11-23-18-24(30)19-27(31)21(23)2/h10-11,20,24-27,30-32H,2,4-9,12-19H2,1,3H3/b22-10+,23-11-/t20-,24-,25-,26+,27+,28-/m1/s1
InChIKey RYXPWQZXOPPLEF-OXZNTLLFSA-N
SMILES [C@@H]1(C[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@]2(CC[C@]3([H])[C@](CCCC4(O)CCCC4)([H])C)[H])C)/C1=C)O)O
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 1alpha,25-dihydroxy-26,27-ethanocholecalciferol (CHEBI:156130) is a vitamin D (CHEBI:27300)
Synonyms Sources
(5Z,7E)-(1S,3R)-26,27-ethano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol SUBMITTER
1alpha,25-dihydroxy-26,27-ethanovitamin D3 SUBMITTER
Manual Xref Database
LMST03020408 LIPID MAPS instance accession
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