CHEBI:137133 - (5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol

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ChEBI Name (5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol
ChEBI ID CHEBI:137133
ChEBI ASCII Name (5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H50O4
Net Charge 0
Average Mass 462.706
Monoisotopic Mass 462.37091
InChI InChI=1S/C29H50O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h11-12,20,23-27,30-33H,5-10,13-19H2,1-4H3/b21-11-,22-12+/t20-,23+,24-,25+,26-,27-,29-/m1/s1
InChIKey OETBDAZRINTQAP-SNUYCWBESA-N
SMILES C1[C@]2([C@](/C(=C/C=C/3\C[C@H]([C@H]([C@@H](C3)O)CCCO)O)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C
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 (5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol (CHEBI:137133) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,2R,3R,5Z,7E,17β)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-(3-hydroxypropyl)-9,10-secoestra-5,7-diene-1,3-diol
Last Modified
25 May 2017