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CHEBI:751153 - tisocalcitate

Default Structure
ChEBI IDCHEBI:751153
ChEBI Nametisocalcitate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H48O5
Net Charge0
Average Mass500.720
Monoisotopic Mass500.35017
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@@H](O)C(C)(C)C(=O)OC(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C31H48O5/c1-19(2)36-29(35)30(5,6)28(34)15-10-20(3)25-13-14-26-22(9-8-16-31(25,26)7)11-12-23-17-24(32)18-27(33)21(23)4/h10-12,15,19-20,24-28,32-34H,4,8-9,13-14,16-18H2,1-3,5-7H3/b15-10+,22-11+,23-12-/t20-,24-,25-,26+,27+,28-,31-/m1/s1
InChIKeyAUMBXYDXKLLKEK-BGMQPCSBSA-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)
tisocalcitate (CHEBI:751153) is a vitamin D (CHEBI:27300)
INNs  Source
tisocalcitateWHO MedNet
tisocalcitatoWHO MedNet
Synonyms  Source
ZK 156942ChEMBL
ZK-156942ChEMBL
ZK156942ChEMBL