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CHEBI:91006 - 2α-(3-hydroxypropyl)-1α,25-dihydroxy-19-norvitamin D3

ChEBI IDCHEBI:91006
ChEBI Name2α-(3-hydroxypropyl)-1α,25-dihydroxy-19-norvitamin D3
Stars
ASCII Name2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3
DefinitionA vitamin D that is 19-norcalcitriol carrying an additional 3-hydroxypropyl substituent at position 2. A synthetic analogue of vitamin D, it exhibits anticancer properties.
Last Modified18 May 2022
SubmitterSteve
DownloadsMolfile
FormulaC29H50O4
Net Charge0
Average Mass462.715
Monoisotopic Mass462.37091
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C(CCCO)[C@H](O)C1
InChIInChI=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
InChIKeyOETBDAZRINTQAP-GVGIUTEISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS93)
- PubMed (25502724)
Roles Classification
Biological Role:
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.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis modulating agent  An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents.
ChEBI Ontology
Outgoing Relation(s)
2α-(3-hydroxypropyl)-1α,25-dihydroxy-19-norvitamin D3 (CHEBI:91006) has role angiogenesis modulating agent (CHEBI:50926)
2α-(3-hydroxypropyl)-1α,25-dihydroxy-19-norvitamin D3 (CHEBI:91006) has role antineoplastic agent (CHEBI:35610)
2α-(3-hydroxypropyl)-1α,25-dihydroxy-19-norvitamin D3 (CHEBI:91006) is a olefinic compound (CHEBI:78840)
2α-(3-hydroxypropyl)-1α,25-dihydroxy-19-norvitamin D3 (CHEBI:91006) is a seco-cholestane (CHEBI:36818)
2α-(3-hydroxypropyl)-1α,25-dihydroxy-19-norvitamin D3 (CHEBI:91006) is a tetrol (CHEBI:33573)
2α-(3-hydroxypropyl)-1α,25-dihydroxy-19-norvitamin D3 (CHEBI:91006) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,2S,3R,5Z,7E,17β)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-(3-hydroxypropyl)-9,10-secoestra-5,7-diene-1,3-diol
Synonyms  Source
MART-10ChEBI
(5Z,7E)-(1R,2S,3R)-3-(hydroxypropyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triolChEBI
Manual XrefsDatabases
LMST03020627LIPID MAPS
Registry NumbersSources
Reaxys:9533244Reaxys
Citations