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CHEBI:137136 - Ecalcidene

ChEBI IDCHEBI:137136
ChEBI NameEcalcidene
Stars
Last Modified25 May 2017
Submittermwilliams
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FormulaC29H45NO3
Net Charge0
Average Mass455.683
Monoisotopic Mass455.33994
SMILES[H][C@]1([C@@]([H])(C)CCC(=O)N2CCCCC2)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C
InChIInChI=1S/C29H45NO3/c1-20(9-14-28(33)30-16-5-4-6-17-30)25-12-13-26-22(8-7-15-29(25,26)3)10-11-23-18-24(31)19-27(32)21(23)2/h10-11,20,24-27,31-32H,2,4-9,12-19H2,1,3H3/b22-10+,23-11-/t20-,24+,25+,26-,27-,29+/m0/s1
InChIKeyDXWZPQRKPXFQGC-QCUPEZPBSA-N
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.
ChEBI Ontology
Outgoing Relation(s)
Ecalcidene (CHEBI:137136) is a vitamin D (CHEBI:27300)
Synonym  Source
(5Z,7E)-(1S,3R)-24-oxo-25-aza-26,27-propano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triolLIPID MAPS
Manual XrefsDatabases
LMST03020681LIPID MAPS